SCHEMBL3927477

SCHEMBL3927477

CC(C)c1cccc(NC(=O)c2ccccc2SCc2ccnc(NC(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 2/20 0.46
▸ FADS1 O60427 1/20 0.44
▸ KDR P35968 2/20 0.42
▸ AURKA O14965 1/20 0.42
▸ RPS6KB1 P23443 1/20 0.42
▸ RXFP1 Q9HBX9 2/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ BRAF P15056 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ NR3C2 P08235 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ PPARG P37231 1/20 0.37

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
SCHEMBL1941329 0.89 KDR (0.44) CCR2FADS1KDRAURKARPS6KB1
SCHEMBL1941231 0.88 FADS1 (0.48) FADS1KDRAURKARXFP1HPGD
SCHEMBL1941172 0.85 PKM (0.52) CCR2KDRRXFP1HPGDHSD17B10
SCHEMBL1941059 0.84 KDR (0.49) CCR2KDRRXFP1HSD17B10ALDH1A1
SCHEMBL1941340 0.84 KDR (0.62) CCR2KDRHSD17B10ALDH1A1MEN1
SCHEMBL1939963 0.84 CCR2 (0.50) CCR2KDRRXFP1HPGDHSD17B10
SCHEMBL3924544 0.83 FADS1 (0.56) FADS1KDRRXFP1HPGDBRAF
SCHEMBL1942417 0.83 CCR2 (0.49) CCR2KDRAURKARPS6KB1HSD17B10
SCHEMBL3931756 0.82 CCR2 (0.53) CCR2KDRAURKAALDH1A1MEN1
SCHEMBL1941635 0.82 KDR (0.46) CCR2KDRRXFP1HSD17B10MEN1

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 CCR2 21/4885FADS1 3003/4885KDR 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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