SCHEMBL16617424

SCHEMBL16617424

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)Cc1cccc(O)c1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 11/20 0.59
HPGDS O60760 1/20 0.59
CTSL P07711 2/20 0.58
CTSB P07858 1/20 0.53
CTSS P25774 1/20 0.53
MRGPRX4 Q96LA9 1/20 0.53
ITGB2 P05107 1/20 0.52
ICAM1 P05362 1/20 0.52
ITGAL P20701 1/20 0.52
LNPEP Q9UIQ6 1/20 0.52

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
SCHEMBL16617939 0.92 CTSL (0.65) TACR1CTSLCTSBCTSSITGB2
SCHEMBL16626131 0.89 CTSL (0.58) TACR1HPGDSCTSLCTSBCTSS
SCHEMBL18625077 0.83 TACR1 (0.53) TACR1CTSLCTSBCTSSITGB2
SCHEMBL8893500 0.82 LTA4H (0.55) TACR1CTSL
SCHEMBL8893493 0.82 LTA4H (0.55) TACR1CTSL
SCHEMBL13902824 0.80 MEN1 (0.61) TACR1CTSLITGB2ICAM1ITGAL
SCHEMBL16617908 0.80 CTSL (0.67) TACR1CTSLITGB2ICAM1ITGAL
SCHEMBL16617905 0.80 CTSL (0.67) TACR1CTSLITGB2ICAM1ITGAL
SCHEMBL13912823 0.78 TACR1 (0.52) TACR1CTSLMRGPRX4ITGB2ICAM1
SCHEMBL5191302 0.77 ITGB2 (0.78) TACR1CTSLITGB2ICAM1ITGAL

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 TACR1 84/4885HPGDS 394/4885CTSL 957/4885
US-20150099691-A1 FPR1 ANTAGONIST DERIVATIVES AND USE THEREOF FPR1, FPR3, FPR2 TACR1 84/4885HPGDS 394/4885CTSL 957/4885

“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.