SCHEMBL9890978

SCHEMBL9890978

Cc1ccc2c(S(=O)(=O)c3ccccc3)cc(-c3csc(NC(=O)C(C)C)n3)nc2c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.42
MAPT P10636 4/20 0.41
ATM Q13315 1/20 0.40
MAPK1 P28482 3/20 0.39
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
MRE11 P49959 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MITF O75030 1/20 0.38
CCR6 P51684 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4A O75164 2/20 0.38
KDM4B O94953 2/20 0.38
KDM5B Q9UGL1 2/20 0.38
OPRK1 P41145 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
SCHEMBL7898739 0.89 MAPT (0.45) TYRMAPTMAPK1ALDH1A1ALOX15
SCHEMBL9890981 0.82 TYR (0.54) TYRATMSMN1; SMN2LMNAMRE11
SCHEMBL3429639 0.82 TYR (0.46) TYRMAPTATMALDH1A1SMN1; SMN2
SCHEMBL13556405 0.81 XIAP (0.48) TYRMAPTATMALDH1A1PKM
SCHEMBL3429515 0.79 TYR (0.45) TYRMAPTATMALDH1A1SMN1; SMN2
SCHEMBL9890980 0.79 KCNQ1 (0.42) TYRMAPTATMALDH1A1LMNA
SCHEMBL9890977 0.75 TYR (0.39) TYRMAPTATMMAPK1ALDH1A1
SCHEMBL22110048 0.74 ALDH1A1 (0.47) TYRMAPTMAPK1ALDH1A1ALOX15
SCHEMBL9890976 0.73 MAPT (0.35) MAPTALDH1A1PKMSMN1; SMN2LMNA
SCHEMBL10266218 0.72 ALDH1A1 (0.48) TYRMAPTMAPK1ALDH1A1ALOX15

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 TYR 1100/4885MAPT 4747/4885ATM 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.