SCHEMBL16617786

SCHEMBL16617786

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 6/20 0.64
ICAM1 P05362 6/20 0.64
ITGAL P20701 6/20 0.64
ERAP2 Q6P179 2/20 0.63
CTSL P07711 2/20 0.62
CTSB P07858 1/20 0.62
CTSS P25774 1/20 0.62
CTSK P43235 1/20 0.62
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
CYP3A4 P08684 1/20 0.59
HTR1A P08908 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
MAPT P10636 1/20 0.59
ALOX15 P16050 1/20 0.59
TSHR P16473 1/20 0.59
NFKB1 P19838 1/20 0.59
HTR2A P28223 1/20 0.59
HTR2C P28335 1/20 0.59

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
SCHEMBL10805861 1.00 ITGB2 (0.64) ITGB2ICAM1ITGALERAP2CTSL
SCHEMBL10670546 0.87 ITGB2 (0.63) ITGB2ICAM1ITGALERAP2CTSL
SCHEMBL10670547 0.87 ITGB2 (0.63) ITGB2ICAM1ITGALERAP2CTSL
SCHEMBL9828348 0.87 ERAP2 (0.74) ITGB2ICAM1ITGALERAP2CTSL
SCHEMBL9828342 0.87 ERAP2 (0.74) ITGB2ICAM1ITGALERAP2CTSL
SCHEMBL5259129 0.87 ITGB2 (0.78) ITGB2ICAM1ITGALERAP2CTSL
SCHEMBL30616778 0.87 ITGB2 (0.78) ITGB2ICAM1ITGALERAP2CTSL
SCHEMBL9466705 0.87 ITGB2 (0.78) ITGB2ICAM1ITGALERAP2CTSL
SCHEMBL5191302 0.87 ITGB2 (0.78) ITGB2ICAM1ITGALERAP2CTSL
SCHEMBL15145406 0.86 ITGB2 (0.63) ITGB2ICAM1ITGALERAP2KDM4E

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 ITGB2 3304/4885ICAM1 1315/4885ITGAL 3019/4885
US-20150099691-A1 FPR1 ANTAGONIST DERIVATIVES AND USE THEREOF FPR1, FPR3, FPR2 ITGB2 3304/4885ICAM1 1315/4885ITGAL 3019/4885

“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.