SCHEMBL3935934

SCHEMBL3935934

CC(C)(C)c1ccc(NC(=O)c2cccnc2SCc2ccnc(NC(=O)CNC3CC3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.48
TRPV1 Q8NER1 5/20 0.39
KMT2A Q03164 3/20 0.39
HSD11B1 P28845 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SCN9A Q15858 1/20 0.36
MAPK14 Q16539 1/20 0.36
LMNA P02545 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
SCHEMBL1941874 0.87 KDR (0.53) KDRTRPV1KMT2AMEN1ALDH1A1
SCHEMBL3932884 0.87 KDR (0.55) KDRTRPV1KMT2AMEN1HTT
SCHEMBL1940906 0.85 KDR (0.55) KDRTRPV1KMT2AMEN1PKM
SCHEMBL3924133 0.85 KDR (0.47) KDRTRPV1KMT2AATMPKM
SCHEMBL1942747 0.84 KDR (0.56) KDRTRPV1KMT2AMEN1ALDH1A1
SCHEMBL3927557 0.84 KDR (0.50) KDRTRPV1KMT2AALDH1A1ATM
SCHEMBL3924782 0.83 KDR (0.44) KDRTRPV1ALDH1A1PKM
SCHEMBL1940372 0.82 KDR (0.52) KDRTRPV1KMT2APKML3MBTL1
SCHEMBL3926716 0.82 MAPT (0.44) KDRKMT2AALDH1A1PKM
SCHEMBL1941140 0.82 TDP1 (0.47) KDRTRPV1ALDH1A1MAPK14LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 KDR 12/4885TRPV1 2238/4885KMT2A 2966/4885

“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.