SCHEMBL3931756

SCHEMBL3931756

CC(C)(C)OC(=O)Nc1cc(CSc2ccccc2C(=O)O)ccn1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 2/20 0.53
▸ PTPRG P23470 1/20 0.46
▸ NR3C2 P08235 7/20 0.42
▸ AURKA O14965 1/20 0.42
▸ GSK3A P49840 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ IGF1R P08069 1/20 0.42
▸ SCN9A Q15858 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KDR P35968 1/20 0.39
▸ PRNP P04156 1/20 0.39
▸ RAB9A P51151 1/20 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
SCHEMBL1942417 0.88 CCR2 (0.49) CCR2NR3C2AURKAGSK3AGSK3B
SCHEMBL1940043 0.87 ALDH1A1 (0.54) CCR2IGF1RKMT2AMEN1L3MBTL1
SCHEMBL1941172 0.86 PKM (0.52) CCR2IGF1RSCN9AKMT2AMEN1
SCHEMBL1941006 0.85 CCR2 (0.52) CCR2GSK3BIGF1RSCN9AKMT2A
SCHEMBL1941059 0.85 KDR (0.49) CCR2SCN9AKMT2AMEN1KDR
SCHEMBL1941340 0.85 KDR (0.62) CCR2PTPRGKMT2AMEN1KDR
SCHEMBL1939963 0.83 CCR2 (0.50) CCR2PTPRGKMT2AMEN1KDR
SCHEMBL1941635 0.82 KDR (0.46) CCR2KMT2AMEN1KDRRAB9A
SCHEMBL3927477 0.82 CCR2 (0.46) CCR2NR3C2AURKAKMT2AMEN1
SCHEMBL1942415 0.82 CCR2 (0.49) CCR2NR3C2AURKAGSK3AGSK3B

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 21/4885PTPRG 788/4885NR3C2 543/4885

“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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