SCHEMBL1939963

SCHEMBL1939963

Cc1cc(NC(=O)c2ccccc2SCc2ccnc(NC(=O)OC(C)(C)C)c2)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 2/20 0.50
▸ KDR P35968 2/20 0.49
▸ PTPRG P23470 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ GRM4 Q14833 1/20 0.38
▸ ALOX15 P16050 3/20 0.38
▸ PKM P14618 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL1941340 0.91 KDR (0.62) CCR2KDRPTPRGMEN1KMT2A
SCHEMBL1941172 0.88 PKM (0.52) CCR2KDRMEN1KMT2AALOX15
SCHEMBL3931767 0.88 KDR (0.54) KDRPTPRGMEN1KMT2ANPC1
SCHEMBL1941059 0.87 KDR (0.49) CCR2KDRMEN1KMT2ANPC1
SCHEMBL1941635 0.84 KDR (0.46) CCR2KDRMEN1KMT2ANPC1
SCHEMBL3927477 0.84 CCR2 (0.46) CCR2KDRMEN1KMT2AALOX15
SCHEMBL1942611 0.83 NPC1 (0.49) CCR2KDRNPC1RAB9ASMN1; SMN2
SCHEMBL1941548 0.83 KDR (0.57) KDRPTPRGMEN1KMT2ANPC1
SCHEMBL3931756 0.83 CCR2 (0.53) CCR2KDRPTPRGMEN1KMT2A
SCHEMBL1941006 0.82 CCR2 (0.52) CCR2KDRMEN1KMT2ANPC1

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 CCR2 21/4885KDR 12/4885PTPRG 788/4885

“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.

Send feedback