SCHEMBL1941875

SCHEMBL1941875

CC(C)(C)c1ccc(NC(=O)c2cccnc2SC(NC(=O)CO)c2ccncc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
KDR P35968 6/20 0.45
TRPV1 Q8NER1 6/20 0.43
NAMPT P43490 1/20 0.41
FLT1 P17948 4/20 0.40
PRKCI P41743 1/20 0.39

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
SCHEMBL3932887 0.92 KMT2A (0.48) KMT2AKDRTRPV1NAMPTFLT1
SCHEMBL1941872 0.92 KDR (0.52) KMT2AKDRTRPV1
SCHEMBL3927552 0.89 KMT2A (0.45) KMT2AKDRTRPV1NAMPTFLT1
SCHEMBL1940229 0.88 KDR (0.59) KMT2AKDRPRKCI
SCHEMBL3935938 0.87 KMT2A (0.44) KMT2AKDRTRPV1NAMPTFLT1
SCHEMBL3924135 0.86 KMT2A (0.46) KMT2AKDRTRPV1NAMPTFLT1
SCHEMBL1941141 0.85 TDP1 (0.44) KMT2AKDRTRPV1
SCHEMBL1940352 0.85 KMT2A (0.48) KMT2AKDRPRKCI
SCHEMBL1940215 0.85 KDR (0.54) KMT2AKDRTRPV1NAMPTFLT1
SCHEMBL1940973 0.84 KMT2A (0.45) KMT2AKDRPRKCI

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
EP-1717229-B1 NOVEL CYCLIC COMPOUND HAVING 4-PYRIDYLALKYLTHIO GROUP HAVING (UN)SUBSTITUTED AMINO INTRODUCED THEREIN SANTEN PHARMACEUTICAL CO LTD (JP) 2011-06-15 EP disclosed
US-7544703-B2 Cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 US disclosed
US-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-06-28 US disclosed
EP-1717229-A1 NOVEL CYCLIC COMPOUND HAVING 4-PYRIDYLALKYLTHIO GROUP HAVING (UN)SUBSTITUTED AMINO INTRODUCED THEREIN SANTEN PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 EP 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-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein FLT4, FLT1, TIE1 KMT2A 2966/4885KDR 12/4885TRPV1 2238/4885

“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.