SCHEMBL1941874

SCHEMBL1941874

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

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.53
TRPV1 Q8NER1 6/20 0.43
KMT2A Q03164 3/20 0.41
JAK2 O60674 1/20 0.40
TYK2 P29597 1/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2C9 P11712 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
SCHEMBL3932884 0.92 KDR (0.55) KDRTRPV1KMT2APKML3MBTL1
SCHEMBL1941876 0.91 KDR (0.56) KDRTRPV1KMT2AL3MBTL1LMNA
SCHEMBL1940906 0.91 KDR (0.55) KDRTRPV1KMT2APKML3MBTL1
SCHEMBL1942747 0.90 KDR (0.56) KDRTRPV1KMT2APKML3MBTL1
SCHEMBL3927557 0.90 KDR (0.50) KDRTRPV1KMT2APKML3MBTL1
SCHEMBL1940228 0.88 KDR (0.70) KDRKMT2AJAK2TYK2LMNA
SCHEMBL1940372 0.88 KDR (0.52) KDRTRPV1KMT2APKML3MBTL1
SCHEMBL3935934 0.87 KDR (0.48) KDRTRPV1KMT2APKML3MBTL1
SCHEMBL3924133 0.87 KDR (0.47) KDRTRPV1KMT2APKML3MBTL1
SCHEMBL1940350 0.86 KDR (0.51) KDRKMT2AJAK2TYK2PKM

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 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.