SCHEMBL10130197

SCHEMBL10130197

COC(=O)c1c(Cl)cc(C)c(N)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
ACHE P22303 1/20 0.42
GAA P10253 2/20 0.41
GUSB P08236 1/20 0.41
HPGD P15428 3/20 0.40
ABL1 P00519 1/20 0.40
NQO2 P16083 4/20 0.38
KDM4E B2RXH2 5/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GLA P06280 1/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
CISD2 Q8N5K1 1/20 0.37
POLB P06746 2/20 0.36
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36
CA12 O43570 1/20 0.36

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
SCHEMBL1706798 0.83 GAA (0.53) GAAHPGDABL1NQO2KDM4E
SCHEMBL10156532 0.80 GAA (0.46) CYP3A4GAAHPGDABL1NQO2
SCHEMBL15822374 0.77 CYP3A4 (0.47) CYP3A4ACHEGAAGUSBHPGD
SCHEMBL22645670 0.77 CYP3A4 (0.40) CYP3A4ACHEGAAGUSBHPGD
SCHEMBL1707046 0.76 NQO2 (0.50) CYP3A4ACHEGAAGUSBHPGD
SCHEMBL30888522 0.75 CYP3A4 (0.44) CYP3A4ACHEGAAGUSBHPGD
SCHEMBL15797486 0.75 GAA (0.44) CYP3A4ACHEGAAGUSBHPGD
SCHEMBL5787222 0.75 GAA (0.44) GAAHPGDABL1NQO2KDM4E
SCHEMBL6736660 0.74 GUSB (0.45) CYP3A4ACHEGAAGUSBHPGD
SCHEMBL8574153 0.74 GAA (0.46) CYP3A4ACHEGAAGUSBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-29 US disclosed
US-20160074381-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2016-03-17 US 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-20140066476-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2014-03-06 US disclosed
US-20140051675-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2014-02-20 US disclosed
US-20120035154-A1 Modulators of Cellular Adhesion SARcode Bioscience, Inc. (US) 2012-02-09 US disclosed
US-8071617-B2 Modulators of cellular adhesion SARCODE BIOSCIENCE INC. (US) 2011-12-06 US disclosed
US-7989626-B2 Modulators of cellular adhesion SAR code Corporation (US) 2011-08-02 US disclosed
US-20110124625-A1 Modulators of Cellular Adhesion SARCODE CORPORATION (US) 2011-05-26 US disclosed
US-20110124669-A1 Modulators of Cellular Adhesion SARCODE CORPORATION (US) 2011-05-26 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-20140066476-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 CYP3A4 2806/4885ACHE 3492/4885GAA 3533/4885
US-20140051675-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 CYP3A4 2806/4885ACHE 3492/4885GAA 3533/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 CYP3A4 3609/4885ACHE 1352/4885GAA 1681/4885
US-20110124625-A1 Modulators of Cellular Adhesion ITGB1, VCAM1, ITGB8 CYP3A4 2806/4885ACHE 3492/4885GAA 3533/4885
US-20160074381-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 CYP3A4 2806/4885ACHE 3492/4885GAA 3533/4885
US-20110124669-A1 Modulators of Cellular Adhesion ITGB1, VCAM1, ITGB8 CYP3A4 2806/4885ACHE 3492/4885GAA 3533/4885
US-20120035154-A1 Modulators of Cellular Adhesion ITGB1, VCAM1, ITGB8 CYP3A4 2806/4885ACHE 3492/4885GAA 3533/4885

“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.