SCHEMBL1706798

SCHEMBL1706798

COC(=O)c1cc(Cl)c(C(=O)OC)c(Cl)c1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.53
ABL1 P00519 1/20 0.47
KDM4E B2RXH2 6/20 0.46
POLB P06746 1/20 0.46
NQO2 P16083 6/20 0.44
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 5/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 3/20 0.41
GLA P06280 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41
CFTR P13569 1/20 0.41
HTT P42858 1/20 0.39
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
NR4A2 P43354 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL27277453 0.90 GAA (0.50) GAAABL1KDM4EPOLBNQO2
SCHEMBL10156532 0.90 GAA (0.46) GAAABL1KDM4EPOLBNQO2
SCHEMBL522450 0.84 GAA (0.49) GAAABL1KDM4ENQO2HSD17B10
SCHEMBL28730938 0.83 GAA (0.50) GAAABL1KDM4EPOLBNQO2
SCHEMBL10130197 0.83 CYP3A4 (0.42) GAAABL1KDM4EPOLBNQO2
SCHEMBL28963725 0.82 GAA (0.40) GAAABL1KDM4ENQO2ALDH1A1
SCHEMBL7852188 0.81 KDM4E (0.57) GAAABL1KDM4EPOLBNQO2
SCHEMBL2936198 0.79 NQO2 (0.56) GAAABL1KDM4EPOLBNQO2
SCHEMBL28963734 0.78 CISD2 (0.53) GAAKDM4EMAPTTSHRALOX15
SCHEMBL7417335 0.76 GAA (0.53) GAAABL1KDM4EPOLBNQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110483437-B Five-membered ring-containing compound and preparation and application thereof 嘉兴维眸生物科技有限公司 2022-12-06 CN disclosed
US-20210145824-A1 MODULATORS OF CELLULAR ADHESION NOVARTIS PHARMACEUTICALS CORPORATION (US) 2021-05-20 US disclosed
US-20190134022-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2019-05-09 US disclosed
US-9364466-B2 Heterocyclic compounds as protein kinase inhibitors DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-06-14 US disclosed
US-20160074381-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2016-03-17 US disclosed
EP-2714688-B1 HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS DAIICHI SANKYO CO LTD (JP) 2016-02-24 EP disclosed
US-9248126-B2 Modulators of cellular adhesion SARCODE BIOSCIENCE INC. (US) 2016-02-02 US disclosed
US-9216174-B2 Modulators of cellular adhesion SARCODE BIOSCIENCE INC. (US) 2015-12-22 US disclosed
US-20150157613-A1 HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-06-11 US disclosed
US-8980911-B2 Heterocyclic compounds as protein kinase inhibitors DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-03-17 US disclosed
US-7790743-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2010-09-07 US disclosed
US-7745460-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2010-06-29 US disclosed
US-7745460-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2010-06-29 US disclosed
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION BAUSCH + LOMB IRELAND LIMITED (IE) 2010-04-15 US disclosed
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION BAUSCH + LOMB IRELAND LIMITED (IE) 2010-04-15 US disclosed
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION SUNESIS PHARMACEUTICALS, INC. (US) 2008-07-31 US disclosed
US-20080176896-A1 Modulators of cellular adhesion BAUSCH + LOMB IRELAND LIMITED (IE) 2008-07-24 US disclosed
US-20080176896-A1 Modulators of cellular adhesion BAUSCH + LOMB IRELAND LIMITED (IE) 2008-07-24 US disclosed
US-7314938-B2 Immune and/or inflammatory disorders; autoimmune disorders; disorders mediated by the CD11/CD18 family of cellular adhesion molecules (e.g., LFA-1); antagonize CD11/CD18 receptors associated with leukocytes. SUNESIS PHARMACEUTICALS, INC. (US) 2008-01-01 US disclosed
US-7314938-B2 Immune and/or inflammatory disorders; autoimmune disorders; disorders mediated by the CD11/CD18 family of cellular adhesion molecules (e.g., LFA-1); antagonize CD11/CD18 receptors associated with leukocytes. SUNESIS PHARMACEUTICALS, INC. (US) 2008-01-01 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 (7 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-20210145824-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 GAA 3533/4885ABL1 923/4885KDM4E 3313/4885
US-20080176896-A1 Modulators of cellular adhesion ITGB1, VCAM1, ITGB8 GAA 3533/4885ABL1 923/4885KDM4E 3313/4885
US-20150157613-A1 HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS MAP3K1, JAK2, AKT1 GAA 2254/4885ABL1 171/4885KDM4E 1629/4885
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 GAA 3557/4885ABL1 946/4885KDM4E 3304/4885
US-20160074381-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 GAA 3533/4885ABL1 923/4885KDM4E 3313/4885
US-20190134022-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 GAA 3533/4885ABL1 923/4885KDM4E 3313/4885
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 GAA 3582/4885ABL1 965/4885KDM4E 3330/4885

“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.