SCHEMBL12340165

SCHEMBL12340165

NCC[C@H](NC(=O)CNC(=O)Nc1ccc2c(ccn2Cc2c(Cl)cccc2Cl)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F2R P25116 14/20 0.49
▸ F2 P00734 2/20 0.45
▸ ALOX5 P09917 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LCK P06239 2/20 0.39
▸ KLKB1 P03952 2/20 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
SCHEMBL13945250 0.88 F2R (0.44) F2RF2LCKKLKB1
SCHEMBL12340166 0.84 KLKB1 (0.41) F2RLCKKLKB1
SCHEMBL12340155 0.84 F2R (0.67) F2RF2
SCHEMBL13945253 0.82 F2R (0.74) F2RF2
SCHEMBL12340177 0.81 F2R (0.63) F2RF2
SCHEMBL12340158 0.80 F2R (0.65) F2RF2
SCHEMBL14583980 0.78 F2R (0.57) F2RF2KLKB1
SCHEMBL12340129 0.77 F2R (0.65) F2RF2
SCHEMBL12340171 0.76 F7 (0.43) F2RLCKKLKB1
SCHEMBL12340161 0.75 F2R (0.56) F2RF2

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
US-8268789-B2 PAR-2 antagonists KOWA COMPANY, LTD. (JP) 2012-09-18 — — US disclosed
US-8268789-B2 PAR-2 antagonists KOWA COMPANY, LTD. (JP) 2012-09-18 — — US disclosed
US-20090012006-A1 Par-2 Antagonists KOWA COMPANY, LTD. (JP) 2009-01-08 — — US disclosed
US-20090012006-A1 Par-2 Antagonists KOWA COMPANY, LTD. (JP) 2009-01-08 — — 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-20090012006-A1 Par-2 Antagonists F2RL1, F2R, F2RL3 F2R 2/4885F2 16/4885ALOX5 841/4885

“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.

Send feedback