SCHEMBL7907810

SCHEMBL7907810

COc1ccc2c(OS(=O)(=O)c3ccc(C)cc3)cc(-c3csc(NC(=O)C(C)C)n3)nc2c1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ1 P51787 1/20 0.45
CTSB P07858 1/20 0.42
PPP3CB P16298 1/20 0.42
AIMP2 Q13155 1/20 0.41
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 5/20 0.39
HPGD P15428 1/20 0.39
TYR P14679 1/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 5/20 0.38
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
MAPT P10636 5/20 0.38
AVPR1B P47901 1/20 0.37
MAPK1 P28482 3/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 2/20 0.37
CLK1 P49759 1/20 0.37
PIK3CA P42336 1/20 0.37

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
SCHEMBL9890980 0.92 KCNQ1 (0.42) KCNQ1CTSBPPP3CBAIMP2ALDH1A1
SCHEMBL7906417 0.89 KCNQ1 (0.37) KCNQ1CTSBPPP3CBALDH1A1KDM4E
SCHEMBL10266218 0.87 ALDH1A1 (0.48) CTSBPPP3CBALDH1A1KDM4EHPGD
SCHEMBL22110048 0.84 ALDH1A1 (0.47) CTSBPPP3CBALDH1A1KDM4EHPGD
SCHEMBL10266220 0.84 TYR (0.51) CTSBPPP3CBALDH1A1KDM4EHPGD
SCHEMBL3478854 0.82 ALDH1A1 (0.47) CTSBPPP3CBALDH1A1KDM4EHPGD
SCHEMBL11947493 0.81 CTSB (0.46) CTSBPPP3CBALDH1A1KDM4EHPGD
SCHEMBL9892684 0.81 ALDH1A1 (0.46) CTSBPPP3CBALDH1A1KDM4EHPGD
SCHEMBL9890984 0.81 MEN1 (0.35) KCNQ1ALDH1A1KDM4ETYRMEN1
SCHEMBL7898739 0.80 MAPT (0.45) CTSBPPP3CBALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142929-A1 PROCESS FOR PREPARING SULFONYL QUINOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
WO-2010107965-A1 PROCESS FOR PREPARING SULFONYL QUINOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 WO 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 (1 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-20120142929-A1 PROCESS FOR PREPARING SULFONYL QUINOLINES GYS2, CYP3A7, GBA1 KCNQ1 425/4885CTSB 275/4885PPP3CB 170/4885

“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.