SCHEMBL16447882

SCHEMBL16447882

COc1ccc(CC(C)(NC(=O)OC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
MMP1 P03956 3/20 0.43
MMP13 P45452 3/20 0.43
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
CTSK P43235 1/20 0.42
CACNA1B Q00975 2/20 0.42
HTT P42858 1/20 0.42
LDHA P00338 1/20 0.42
F2RL1 P55085 1/20 0.41
MMP9 P14780 2/20 0.41
PTPRB P23467 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
EPHX2 P34913 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6107393 0.86 KDM4E (0.43) PPARGPPARAITGB3ITGA2BCTSK
SCHEMBL2573120 0.86 BLM (0.50) PPARGPPARAITGB3ITGA2BCTSK
SCHEMBL6107394 0.86 KDM4E (0.43) PPARGPPARAITGB3ITGA2BCTSK
SCHEMBL2982712 0.86 BLM (0.50) PPARGPPARAITGB3ITGA2BCTSK
SCHEMBL1552723 0.85 CA12 (0.50) PPARGPPARAITGB3ITGA2BCTSK
SCHEMBL1350805 0.85 CA12 (0.50) PPARGPPARAITGB3ITGA2BCTSK
SCHEMBL1350802 0.85 CA12 (0.50) PPARGPPARAITGB3ITGA2BCTSK
SCHEMBL13269823 0.84 CTSS (0.50) PPARGPPARAITGB3ITGA2BCTSK
SCHEMBL20338607 0.84 CTSS (0.50) PPARGPPARAITGB3ITGA2BCTSK
SCHEMBL1241187 0.84 KDM4E (0.40) PPARGPPARAITGB3ITGA2BCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105473575-B Benzimidazolyl-methylurea derivatives as ALX receptor agonists 爱杜西亚药品有限公司 2017-11-24 CN disclosed
EP-3030560-B1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2017-06-21 EP disclosed
US-9663473-B2 Benzimidazolyl-methyl urea derivatives as ALX receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2017-05-30 US disclosed
US-20160200686-A1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS IDORSIA PHARMACEUTICALS LTD (CH) 2016-07-14 US disclosed
EP-3030560-A1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd (CH) 2016-06-15 EP disclosed
WO-2015019325-A1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-02-12 WO 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-20160200686-A1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS UTS2R, ADORA3, P2RX7 PPARG 798/4885PPARA 738/4885MMP1 4853/4885

“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.