SCHEMBL465834

SCHEMBL465834

CCOC(=O)c1cccc(NC(=O)OC(C)(C)C)n1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.59
MAPT P10636 4/20 0.49
ABCB1 P08183 1/20 0.46
ALDH1A1 P00352 2/20 0.44
GRM5 P41594 3/20 0.44
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
PKM P14618 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
MAPK8 P45983 1/20 0.41
LCK P06239 2/20 0.40
S1PR2 O95136 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
SCHEMBL1857045 0.86 ALDH1A1 (0.48) CYP1A2MAPTALDH1A1GRM5NPC1
SCHEMBL3108921 0.83 CYP1A2 (0.57) CYP1A2MAPTABCB1ALDH1A1GRM5
SCHEMBL29988307 0.82 KDM4E (0.62) ALDH1A1GRM5NPC1RAB9ATDP1
SCHEMBL5777729 0.82 KDM4E (0.62) ALDH1A1GRM5NPC1RAB9ATDP1
SCHEMBL29394473 0.81 LCK (0.47) NPC1RAB9ASMN1; SMN2GAALCK
SCHEMBL11952500 0.81 LMNA (0.43) MAPTALDH1A1GRM5NPC1RAB9A
SCHEMBL22473493 0.81 ABCB1 (0.38) CYP1A2MAPTABCB1ALDH1A1GRM5
SCHEMBL8162669 0.80 CYP1A2 (0.42) CYP1A2MAPTABCB1NPC1RAB9A
SCHEMBL18095667 0.80 CYP1A2 (0.50) CYP1A2MAPTABCB1ALDH1A1LMNA
SCHEMBL15436036 0.80 CYP1A2 (0.56) CYP1A2MAPTABCB1ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105566-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-05-05 US claimed
EP-2265118-A2 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES Bayer CropScience AG (DE) 2010-12-29 EP claimed
WO-2009115557-A2 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2009-09-24 WO claimed
US-11046644-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2021-06-29 US disclosed
US-11046644-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2021-06-29 US disclosed
US-20200109110-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2020-04-09 US disclosed
US-10287243-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2019-05-14 US disclosed
US-10287243-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2019-05-14 US disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 US disclosed
US-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 US disclosed
EP-3050873-B1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2017-09-13 EP disclosed
EP-2017275-A1 BENZISOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-01-21 EP disclosed
EP-1844044-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP disclosed
US-20060160857-A1 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 US disclosed
WO-2006074884-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-20 WO disclosed
WO-2006074884-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-20 WO disclosed
EP-0930298-B1 FLUORINATED 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2002-12-18 EP disclosed
US-6040449-A USEFUL FOR FORMING FLUORINE CONTAINING 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES, USEFUL AS ANTAGONIST FOR MUSCARINIC M3 RECEPTORS AND LESS SIDE EFFECT BANYU PHARMACEUTICAL CO LTD (JP) 2000-03-21 US disclosed
US-5948792-A POTENT AND SELECTIVE ANTAGONISTS FOR MUSCARINIC M.SUB.3 RECEPTORS WITH LITTLE SIDE EFFECTS. BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-07 US disclosed
EP-0930298-A1 FLUORINATED 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-07-21 EP 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 (6 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-20060160857-A1 Thiazole-4-carboxyamide derivatives GRM1, GRM2, GRIA4 CYP1A2 3078/4885MAPT 3444/4885ABCB1 1692/4885
US-20110105566-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES HAAO, CYP51A1, HPD CYP1A2 95/4885MAPT 1841/4885ABCB1 2131/4885
US-20200109110-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 CYP1A2 4234/4885MAPT 4253/4885ABCB1 864/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CYP1A2 1236/4885MAPT 2406/4885ABCB1 3616/4885
US-10287243-B2 Sulfur derivatives as chemokine receptor modulators CX3CR1, CXCR2, CCR2 CYP1A2 4234/4885MAPT 4253/4885ABCB1 864/4885
US-11046644-B2 Sulfur derivatives as chemokine receptor modulators CX3CR1, CXCR2, CCR2 CYP1A2 4234/4885MAPT 4253/4885ABCB1 864/4885

“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.