SCHEMBL1941172

SCHEMBL1941172

Cc1cc(C)cc(NC(=O)c2ccccc2SCc2ccnc(NC(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 3/20 0.52
▸ CCR2 P41597 2/20 0.49
▸ KDR P35968 1/20 0.46
▸ LMNA P02545 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HSD17B10 Q99714 3/20 0.40
▸ ALOX15 P16050 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ TDP1 Q9NUW8 3/20 0.40
▸ SCN9A Q15858 1/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ IGF1R P08069 1/20 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
SCHEMBL1941059 0.88 KDR (0.49) PKMCCR2KDRMEN1KMT2A
SCHEMBL1941340 0.88 KDR (0.62) CCR2KDRLMNAMEN1KMT2A
SCHEMBL1941473 0.88 KDR (0.48) PKMCCR2KDRLMNAMEN1
SCHEMBL1939963 0.88 CCR2 (0.50) PKMCCR2KDRLMNAMEN1
SCHEMBL1942084 0.87 PKM (0.54) PKMKDRLMNAMEN1KMT2A
SCHEMBL3931756 0.86 CCR2 (0.53) CCR2KDRMEN1KMT2AALDH1A1
SCHEMBL1941635 0.85 KDR (0.46) CCR2KDRMEN1KMT2AHSD17B10
SCHEMBL3927477 0.85 CCR2 (0.46) CCR2KDRLMNAMEN1KMT2A
SCHEMBL1941006 0.85 CCR2 (0.52) PKMCCR2KDRLMNAMEN1
SCHEMBL1939690 0.84 L3MBTL1 (0.49) CCR2LMNAPOLBALDH1A1SCN9A

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 PKM 1565/4885CCR2 21/4885KDR 12/4885

“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.

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