SCHEMBL13087152

SCHEMBL13087152

Nc1cc(Cn2c(C(=O)O)c(N3CCCNS3(=O)=O)c3cc(Cl)ccc32)ccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
PPARG P37231 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PIK3C3 Q8NEB9 3/20 0.37
PER2 O15055 2/20 0.33
CRY1 Q16526 2/20 0.33
CRY2 Q49AN0 2/20 0.33
CCR2 P41597 3/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL13086943 0.95 MEN1 (0.39) MEN1KMT2ACYP3A4MAPTALOX15
SCHEMBL13087154 0.88 PIK3C3 (0.37) PPARGPIK3C3CCR2KCNH2HRH3
SCHEMBL14706308 0.87 PIK3C3 (0.34) MEN1KMT2ACYP3A4MAPTALOX15
SCHEMBL13087222 0.85 MCL1 (0.36) PPARGPIK3C3CCR2KCNH2HRH3
SCHEMBL13087137 0.83 PIK3C3 (0.42) MEN1KMT2ACYP3A4MAPTALOX15
SCHEMBL13087186 0.81 PIK3C3 (0.40) MEN1KMT2ACYP3A4MAPTALOX15
SCHEMBL14706307 0.75 PIK3C3 (0.42) MEN1KMT2APIK3C3CCR2ALDH1A1
SCHEMBL13087065 0.74 PIK3C3 (0.39) PPARGPIK3C3CCR2
SCHEMBL13087049 0.73 MKNK2 (0.41) MEN1KMT2APIK3C3CCR2ALDH1A1
SCHEMBL13087203 0.72 CCR2 (0.39) PPARGPIK3C3CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377928-B2 3-aminosulfonyl substituted indole derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2013-02-19 US disclosed
US-8377928-B2 3-aminosulfonyl substituted indole derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2013-02-19 US disclosed
US-20100260711-A1 3-AMINOSULFONYL SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2010-10-14 US disclosed
US-20100260711-A1 3-AMINOSULFONYL SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2010-10-14 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-20100260711-A1 3-AMINOSULFONYL SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, INMT, IDO2 MEN1 2829/4885KMT2A 228/4885CYP3A4 1433/4885

“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.