SCHEMBL3249670

SCHEMBL3249670

CNC[C@H](NC(=O)OCc1ccccc1)C(=O)OC

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.62
ALDH1A1 P00352 1/20 0.60
ALOX15 P16050 1/20 0.60
CTSK P43235 6/20 0.55
CTSS P25774 4/20 0.54
CTSL P07711 3/20 0.54
CTSB P07858 3/20 0.54
TRPM8 Q7Z2W7 1/20 0.53
TACR1 P25103 2/20 0.52
CTRB1 P17538 2/20 0.51
ATM Q13315 1/20 0.51

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
SCHEMBL6498057 1.00 KYNU (0.62) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL1161891 0.90 CTSK (0.56) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL12873775 0.90 CTSK (0.56) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL13410408 0.90 CTSK (0.56) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL24130581 0.89 KYNU (0.62) KYNUALDH1A1ALOX15CTSKCTSS
Hydrochloric Acid SCHEMBL1161839 0.89 CTSK (0.55) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL24130582 0.89 KYNU (0.62) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL6198582 0.88 KYNU (0.56) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL13369139 0.87 KYNU (0.60) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL13625105 0.87 KYNU (0.60) KYNUALDH1A1ALOX15CTSKCTSS

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1371646-B1 ARYL-SUBSTITUTED ALICYCLIC COMPOUND AND MEDICAL COMPOSITION COMPRISING THE SAME DAINIPPON SUMITOMO PHARMA CO (JP) 2010-05-19 EP disclosed
US-7176199-B2 Aryl-substituted alicyclic compound and medical composition comprising the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2007-02-13 US disclosed
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed
US-20040106622-A1 Aryl-substituted alicylic compound and medical composition comprising the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 US disclosed
EP-1371646-A1 ARYL-SUBSTITUTED ALICYCLIC COMPOUND AND MEDICAL COMPOSITION COMPRISING THE SAME Dainippon Pharmaceutical Co., Ltd. (JP) 2003-12-17 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-20040106622-A1 Aryl-substituted alicylic compound and medical composition comprising the same ITGB3, ITGB1, ITGAL KYNU 2693/4885ALDH1A1 309/4885ALOX15 2002/4885

“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.