SCHEMBL6238973

SCHEMBL6238973

COC(=O)[C@@H](N)Cc1ccc(-c2cc(Cl)cn(C)c2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
PTGS2 P35354 2/20 0.40
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
MME P08473 7/20 0.38
ROCK2 O75116 1/20 0.38
MMEL1 Q495T6 1/20 0.37
ITGB1 P05556 2/20 0.37
ITGA4 P13612 2/20 0.37
ITGB7 P26010 1/20 0.37
TPH1 P17752 2/20 0.36
WEE1 P30291 1/20 0.35

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
SCHEMBL27487456 1.00 ALDH1A1 (0.40) ALDH1A1PTGS2MEN1RAB9AKMT2A
Hydrochloric Acid SCHEMBL27487816 0.99 ALDH1A1 (0.42) ALDH1A1PTGS2MEN1RAB9AKMT2A
Hydrochloric Acid SCHEMBL6239874 0.99 ALDH1A1 (0.42) ALDH1A1PTGS2MEN1RAB9AKMT2A
SCHEMBL6236587 0.87 ITGB1 (0.41) ALDH1A1PTGS2ITGB1ITGA4TPH1
Hydrochloric Acid SCHEMBL27502521 0.86 ALDH1A1 (0.42) ALDH1A1PTGS2ITGB1ITGA4TPH1
Hydrochloric Acid SCHEMBL6236581 0.86 ALDH1A1 (0.42) ALDH1A1PTGS2ITGB1ITGA4TPH1
Hydrochloric Acid SCHEMBL27587066 0.85 MEN1 (0.36) ALDH1A1PTGS2MEN1RAB9AKMT2A
SCHEMBL6236295 0.84 ADRA1D (0.42) ALDH1A1ITGB1ITGA4
SCHEMBL27522588 0.84 ADRA1D (0.42) ALDH1A1ITGB1ITGA4
Hydrochloric Acid SCHEMBL6236290 0.83 ADRA1D (0.42) ALDH1A1ITGB1ITGA4TPH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6916933-B2 4-pyridinyl-n-acyl-l-phenylalanines HOFFMAN-LA ROCHE INC. (US) 2005-07-12 US disclosed
EP-1244625-B1 4-PYRIDINYL-N-ACYL-L-PHENYLALANINES HOFFMANN LA ROCHE (CH) 2005-06-15 EP disclosed
CN-1196682-C 4-pyridyl-N-acyl-L-phenylalanine HOFFMANN LA ROCHE (CH) 2005-04-13 CN disclosed
US-20040127706-A1 4-Pyridinyl-n-acyl-l-phenylalanines KAPLAN GERALD LEWIS (US) 2004-07-01 US disclosed
CN-1402709-A 4-pyridinyl-N-acyl-L-phenylalanines HOFFMANN LA ROCHE (CH) 2003-03-12 CN disclosed
US-20020133015-A1 4-pyridinyl-N-acyl-L-phenylalanines KAPLAN GERALD LEWIS (US) 2002-09-19 US disclosed
US-6388084-B1 4-pyridinyl-n-acyl-l-phenylalanines HOFFMANN-LA ROCHE INC. 2002-05-14 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-20040127706-A1 4-Pyridinyl-n-acyl-l-phenylalanines VCAM1, ICAM1, SELPLG ALDH1A1 81/4885PTGS2 2541/4885MEN1 3375/4885
US-20020133015-A1 4-pyridinyl-N-acyl-L-phenylalanines VCAM1, ICAM1, SELPLG ALDH1A1 81/4885PTGS2 2541/4885MEN1 3375/4885

“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.