SCHEMBL9890980

SCHEMBL9890980

Cc1ccc(S(=O)(=O)Oc2cc(-c3csc(NC(=O)C(C)C)n3)nc3c(Br)c(C)ccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNQ1 P51787 1/20 0.42
TYR P14679 1/20 0.40
ATM Q13315 1/20 0.40
AIMP2 Q13155 1/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
CLK1 P49759 1/20 0.38
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
CTSB P07858 1/20 0.36
PPP3CB P16298 1/20 0.36
XIAP P98170 1/20 0.35
OPRK1 P41145 1/20 0.35
MRE11 P49959 1/20 0.35
AVPR1B P47901 1/20 0.35

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
SCHEMBL7907810 0.92 KCNQ1 (0.45) KCNQ1TYRATMAIMP2LMNA
SCHEMBL9890984 0.89 MEN1 (0.35) KCNQ1TYRMEN1KMT2AALDH1A1
SCHEMBL3429515 0.84 TYR (0.45) TYRATMLMNAMEN1KMT2A
SCHEMBL9890981 0.82 TYR (0.54) TYRATMLMNAMEN1KMT2A
SCHEMBL7906417 0.80 KCNQ1 (0.37) KCNQ1TYRLMNAMEN1KMT2A
SCHEMBL13556405 0.79 XIAP (0.48) TYRATMLMNAMEN1KMT2A
SCHEMBL9890978 0.79 TYR (0.42) TYRATMLMNAMEN1KMT2A
SCHEMBL3429639 0.78 TYR (0.46) TYRATMLMNAMEN1KMT2A
SCHEMBL10266218 0.78 ALDH1A1 (0.48) TYRLMNAMEN1KMT2AALDH1A1
SCHEMBL22110048 0.76 ALDH1A1 (0.47) TYRLMNAMEN1KMT2AALDH1A1

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 1 patent. 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

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 425/4885TYR 1100/4885ATM 4289/4885

“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.