SCHEMBL16617908

SCHEMBL16617908

O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)O)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.67
ITGB2 P05107 3/20 0.67
ICAM1 P05362 3/20 0.67
ITGAL P20701 3/20 0.67
PLAU P00749 1/20 0.66
PLAUR Q03405 1/20 0.66
TACR1 P25103 1/20 0.66
ERAP2 Q6P179 1/20 0.66
LTA4H P09960 1/20 0.65
ACE P12821 2/20 0.64
MME P08473 1/20 0.63
ECE1 P42892 1/20 0.62

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
SCHEMBL16617905 1.00 CTSL (0.67) CTSLITGB2ICAM1ITGALPLAU
SCHEMBL11227412 0.92 CTSL (0.61) CTSLITGB2ICAM1ITGALPLAU
SCHEMBL11227413 0.92 CTSL (0.61) CTSLITGB2ICAM1ITGALPLAU
SCHEMBL5191302 0.91 ITGB2 (0.78) CTSLITGB2ICAM1ITGALTACR1
SCHEMBL9466705 0.91 ITGB2 (0.78) CTSLITGB2ICAM1ITGALTACR1
SCHEMBL30616778 0.91 ITGB2 (0.78) CTSLITGB2ICAM1ITGALTACR1
SCHEMBL5259129 0.91 ITGB2 (0.78) CTSLITGB2ICAM1ITGALTACR1
SCHEMBL29197301 0.90 ITGB2 (0.66) ITGB2ICAM1ITGALPLAUPLAUR
SCHEMBL8724361 0.90 TACR1 (0.70) ITGB2ICAM1ITGALPLAUPLAUR
SCHEMBL8724358 0.90 TACR1 (0.70) ITGB2ICAM1ITGALPLAUPLAUR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9593144-B2 FPR1 antagonist derivatives and use thereof CHANG GUNG UNIVERSITY (TW) 2017-03-14 US disclosed
US-20150307548-A1 FPR1 ANTAGONIST DERIVATIVES AND USE THEREOF CHANG GUNG UNIVERSITY (TW) 2015-10-29 US disclosed
US-20150099691-A1 FPR1 ANTAGONIST DERIVATIVES AND USE THEREOF CHANG GUNG UNIVERSITY (TW) 2015-04-09 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 (2 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-20150307548-A1 FPR1 ANTAGONIST DERIVATIVES AND USE THEREOF FPR1, FPR3, FPR2 CTSL 957/4885ITGB2 3304/4885ICAM1 1315/4885
US-20150099691-A1 FPR1 ANTAGONIST DERIVATIVES AND USE THEREOF FPR1, FPR3, FPR2 CTSL 957/4885ITGB2 3304/4885ICAM1 1315/4885

“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.