SCHEMBL213647

SCHEMBL213647

CC(=O)N(CCON(C=O)c1nc2ccc(S(C)(=O)=O)cc2s1)NCc1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 2/20 0.41
TP53 P04637 2/20 0.41
MAOB P27338 1/20 0.39
MEN1 O00255 8/20 0.39
KMT2A Q03164 8/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
HSD17B10 Q99714 3/20 0.38
GAA P10253 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL209925 0.88 CSNK1D (0.51) GHSRMAOBMEN1KMT2ASMN1; SMN2
SCHEMBL2843053 0.86 CSNK1D (0.42) GHSRMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL209978 0.86 CSNK1D (0.49) TP53MAOBCSNK1DACP1
SCHEMBL214821 0.85 CSNK1D (0.43) TP53MAOBSMN1; SMN2LMNAMAPT
SCHEMBL4350654 0.84 CSNK1D (0.43) GHSRMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL210169 0.80 RAD52 (0.41) TP53MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL212267 0.80 HPGD (0.36) TP53MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL211174 0.77 SMN1; SMN2 (0.36) TP53MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL4347050 0.77 MAPT (0.38) TP53MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL210920 0.75 NPC1 (0.43) MEN1KMT2AHPGDSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 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 (3 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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 GHSR 3101/4885TP53 2206/4885MAOB 378/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 GHSR 3101/4885TP53 2206/4885MAOB 378/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 GHSR 3101/4885TP53 2206/4885MAOB 378/4885

“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.