SCHEMBL17025484

SCHEMBL17025484

COC(=O)c1ccc(NC=C2C(=O)OC(C)(C)OC2=O)c(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 16/20 0.52
HSD17B10 Q99714 3/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
NOTUM Q6P988 1/20 0.43
TSHR P16473 1/20 0.43
AURKA O14965 1/20 0.40
RAF1 P04049 1/20 0.40
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL29426248 1.00 ALDH1A1 (0.52) ALDH1A1HSD17B10CASP1CASP7L3MBTL1
SCHEMBL17025436 0.86 ALDH1A1 (0.64) ALDH1A1HSD17B10CASP1CASP7L3MBTL1
SCHEMBL2175455 0.80 ALDH1A1 (0.63) ALDH1A1HSD17B10CASP1CASP7L3MBTL1
SCHEMBL24315862 0.80 ALDH1A1 (0.53) ALDH1A1HSD17B10CASP1CASP7L3MBTL1
SCHEMBL31203319 0.80 ALDH1A1 (0.55) ALDH1A1HSD17B10CASP1CASP7L3MBTL1
SCHEMBL25419587 0.79 ALDH1A1 (0.54) ALDH1A1HSD17B10CASP1CASP7L3MBTL1
SCHEMBL29744372 0.77 ALDH1A1 (0.68) ALDH1A1HSD17B10CASP1CASP7RAB9A
SCHEMBL15367241 0.77 ALDH1A1 (0.68) ALDH1A1HSD17B10CASP1CASP7RAB9A
SCHEMBL1210091 0.77 ALDH1A1 (0.55) ALDH1A1HSD17B10CASP1CASP7L3MBTL1
SCHEMBL22766451 0.77 ALDH1A1 (0.55) ALDH1A1HSD17B10CASP1CASP7L3MBTL1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115884970-A Aryl formamide compound and preparation method and medical application thereof 中国医药研究开发中心有限公司 2023-03-31 CN disclosed
WO-2022063205-A1 ARYL FORMAMIDE COMPOUND, PREPARATION METHOD FOR SAME, AND MEDICINAL USES THEREOF 中国医药研究开发中心有限公司 2022-03-31 WO disclosed
US-9464055-B2 Quinoline derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2016-10-11 US disclosed
US-9266835-B2 Quinoline derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2016-02-23 US disclosed
WO-2015130445-A1 QUINOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2015-09-03 WO disclosed
WO-2015130444-A1 QUINOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2015-09-03 WO disclosed
US-20150239844-A1 QUINOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2015-08-27 US disclosed
US-20150239845-A1 QUINOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2015-08-27 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 (2 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-20150239844-A1 QUINOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, CNR2, GPR119 ALDH1A1 1204/4885HSD17B10 1530/4885CASP1 2062/4885
US-20150239845-A1 QUINOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, CNR2, GPR119 ALDH1A1 1204/4885HSD17B10 1530/4885CASP1 2062/4885

“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.