SCHEMBL12340171

SCHEMBL12340171

CC(C)n1ccc2cc(NC(=O)N[C@@H](C)C(=O)N[C@@H](CCN)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCc3ccccc3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F7 P08709 1/20 0.43
▸ KLKB1 P03952 8/20 0.41
▸ MMP8 P22894 2/20 0.40
▸ LCK P06239 2/20 0.40
▸ F2R P25116 3/20 0.39
▸ FCER2 P06734 4/20 0.39
▸ MMP1 P03956 3/20 0.39
▸ MMP2 P08253 1/20 0.38
▸ MMP9 P14780 1/20 0.38

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
SCHEMBL12340166 0.92 KLKB1 (0.41) F7KLKB1MMP8LCKF2R
SCHEMBL12340175 0.88 KLKB1 (0.49) F7KLKB1F2RFCER2MMP1
SCHEMBL12340165 0.76 F2R (0.49) KLKB1LCKF2R
SCHEMBL13945252 0.74 F2R (0.52) F2R
SCHEMBL13945250 0.72 F2R (0.44) KLKB1LCKF2R
SCHEMBL4202829 0.66 TP53 (0.52) —
SCHEMBL14485541 0.65 KLKB1 (0.68) KLKB1MMP8
SCHEMBL18787564 0.64 SSTR3 (0.54) FCER2
SCHEMBL14115004 0.64 NPY1R (0.53) KLKB1FCER2MMP1
SCHEMBL7947333 0.64 TACR2 (0.63) F7KLKB1

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 F7 1492/4885KLKB1 503/4885MMP8 958/4885

“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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