SCHEMBL16626131

SCHEMBL16626131

O=C(N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)N[C@@H](CO)Cc1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.58
CTSB P07858 2/20 0.58
CTSS P25774 2/20 0.58
CTSK P43235 1/20 0.58
TACR1 P25103 9/20 0.54
ERAP1 Q9NZ08 3/20 0.50
ERAP2 Q6P179 2/20 0.50
LNPEP Q9UIQ6 2/20 0.50
HPGDS O60760 1/20 0.49
ACHE P22303 1/20 0.49

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
SCHEMBL18625077 0.90 TACR1 (0.53) CTSLCTSBCTSSCTSKTACR1
SCHEMBL16617939 0.89 CTSL (0.65) CTSLCTSBCTSSTACR1
SCHEMBL16617424 0.89 TACR1 (0.59) CTSLCTSBCTSSTACR1LNPEP
SCHEMBL16618099 0.85 TACR1 (0.59) CTSLCTSBCTSSCTSKTACR1
SCHEMBL16617786 0.84 ITGB2 (0.64) CTSLCTSBCTSSCTSKTACR1
SCHEMBL10805861 0.84 ITGB2 (0.64) CTSLCTSBCTSSCTSKTACR1
SCHEMBL4364556 0.80 CTSL (0.63) CTSLCTSBCTSSCTSKTACR1
SCHEMBL8893500 0.80 LTA4H (0.55) CTSLTACR1
SCHEMBL8893493 0.80 LTA4H (0.55) CTSLTACR1
SCHEMBL4367288 0.79 CTSL (0.58) CTSLCTSBCTSSCTSKHPGDS

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 957/4885CTSB 1415/4885CTSS 1757/4885
US-20150099691-A1 FPR1 ANTAGONIST DERIVATIVES AND USE THEREOF FPR1, FPR3, FPR2 CTSL 957/4885CTSB 1415/4885CTSS 1757/4885

“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.