SCHEMBL1890105

SCHEMBL1890105

COC(=O)c1ccc(NC=C2C(=O)OC(C)(C)OC2=O)cc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.59
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
HSD17B10 Q99714 2/20 0.56
MAPK1 P28482 1/20 0.56
RAB9A P51151 1/20 0.55
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
KDM4E B2RXH2 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK4 Q16654 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
GAA P10253 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30905509 0.90 ALDH1A1 (0.59) ALDH1A1CYP1A2CYP3A4HSD17B10MAPK1
SCHEMBL30905503 0.90 ALDH1A1 (0.59) ALDH1A1CYP1A2CYP3A4HSD17B10MAPK1
SCHEMBL1894970 0.87 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP3A4HSD17B10MAPK1
SCHEMBL14540823 0.87 RAB9A (0.64) ALDH1A1CYP1A2CYP3A4HSD17B10MAPK1
SCHEMBL6004614 0.86 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP3A4HSD17B10MAPK1
SCHEMBL22766451 0.86 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP3A4HSD17B10MAPK1
SCHEMBL21200929 0.86 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP3A4HSD17B10MAPK1
SCHEMBL6004820 0.86 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP3A4HSD17B10MAPK1
SCHEMBL21200952 0.85 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP3A4HSD17B10MAPK1
SCHEMBL2174228 0.84 ALDH1A1 (0.59) ALDH1A1CYP1A2CYP3A4HSD17B10MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372981-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-02-12 US disclosed
US-8372981-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-02-12 US disclosed
US-7973160-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-05 US disclosed
US-7973160-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-05 US disclosed
US-7973160-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-05 US disclosed
US-20110118470-A1 NITROGEN-CONTAINING AROMATIC DERIVATIVES FUNAHASHI YASUHIRO 2011-05-19 US disclosed
US-20100197911-A1 Nitrogen-Containing Aromatic Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-05 US disclosed
US-20100197911-A1 Nitrogen-Containing Aromatic Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-05 US disclosed
US-20100197911-A1 Nitrogen-Containing Aromatic Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-05 US disclosed
US-7612092-B2 Urea derivatives containing aromatic or heteroaromatic rings; 4-(3-chloro-4-(cyclopropylaminocarbonyl)aminophenoxy)-7-methoxy-6-quinolinecarboxamide; prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-11-03 US disclosed
US-7253286-B2 Urea derivatives containing aromatic or heteroaromatic rings, useful as prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective EISAI CO., LTD (JP) 2007-08-07 US disclosed
US-7253286-B2 Urea derivatives containing aromatic or heteroaromatic rings, useful as prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective EISAI CO., LTD (JP) 2007-08-07 US disclosed
US-7253286-B2 Urea derivatives containing aromatic or heteroaromatic rings, useful as prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective EISAI CO., LTD (JP) 2007-08-07 US disclosed
EP-1777218-A1 Process for the preparation of 4-phenoxy quinoline derivatives Eisai R&D Management Co., Ltd. (JP) 2007-04-25 EP disclosed
EP-1415987-B1 NITROGENOUS AROMATIC RING COMPOUNDS AS ANTI CANCER AGENTS EISAI R&D MAN CO LTD (JP) 2007-02-28 EP disclosed
US-20060247259-A1 Urea derivatives containing aromatic or heteroaromatic rings; 4-(3-chloro-4-(cyclopropylaminocarbonyl)aminophenoxy)-7-methoxy-6-quinolinecarboxamide; prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-11-02 US disclosed
US-20060160832-A1 Urea derivatives containing aromatic or heteroaromatic rings; 4-(3-chloro-4-(cyclopropylaminocarbonyl)aminophenoxy)-7-methoxy-6-quinolinecarboxamide; prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-07-20 US disclosed
EP-1506962-A2 Nitrogen-containing aromatic heterocycles Eisai Co. Ltd. (JP) 2005-02-16 EP disclosed
EP-1415987-A1 NITROGENOUS AROMATIC RING COMPOUNDS Eisai Co., Ltd. (JP) 2004-05-06 EP disclosed
US-20040053908-A1 Urea derivatives containing aromatic or heteroaromatic rings, useful as prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-03-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100197911-A1 Nitrogen-Containing Aromatic Derivatives GNG2, GCG, FRG1 ALDH1A1 2194/4885CYP1A2 91/4885CYP3A4 608/4885
US-20040053908-A1 Urea derivatives containing aromatic or heteroaromatic rings, useful as prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective VEGFA, UACA, UTS2R ALDH1A1 1164/4885CYP1A2 1276/4885CYP3A4 2199/4885
US-20060247259-A1 Urea derivatives containing aromatic or heteroaromatic rings; 4-(3-chloro-4-(cyclopropylaminocarbonyl)aminophenoxy)-7-methoxy-6-quinolinecarboxamide; prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective UGGT1, FLT1, GCG ALDH1A1 1671/4885CYP1A2 1310/4885CYP3A4 2546/4885
US-20110118470-A1 NITROGEN-CONTAINING AROMATIC DERIVATIVES GNG2, GCG, FRG1 ALDH1A1 2154/4885CYP1A2 79/4885CYP3A4 569/4885
US-20060160832-A1 Urea derivatives containing aromatic or heteroaromatic rings; 4-(3-chloro-4-(cyclopropylaminocarbonyl)aminophenoxy)-7-methoxy-6-quinolinecarboxamide; prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective UGGT1, FLT1, GCG ALDH1A1 1671/4885CYP1A2 1310/4885CYP3A4 2546/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.