SCHEMBL6239023

SCHEMBL6239023

Cc1cc(C(F)(F)F)n(C)c(=O)c1I

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ITGB1 P05556 2/20 0.33
ITGA4 P13612 2/20 0.33
ITGB7 P26010 2/20 0.33
HPGD P15428 1/20 0.32
PGR P06401 1/20 0.31

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
SCHEMBL27488886 0.74 GAA (0.33) RAB9AGAASMN1; SMN2
SCHEMBL9911990 0.71 RAB9A (0.49) RAB9AGAASMN1; SMN2NPC1LMNA
SCHEMBL26710212 0.71
SCHEMBL1689752 0.70 AR (0.35) GAAALDH1A1ITGB1ITGA4ITGB7
SCHEMBL29192583 0.69 RAB9A (0.48) RAB9AGAASMN1; SMN2NPC1LMNA
SCHEMBL25164695 0.67 POLB (0.33) RAB9AGAASMN1; SMN2
SCHEMBL6234598 0.67 IDH1 (0.37) RAB9AGAASMN1; SMN2PGR
SCHEMBL23971969 0.66 ALDH1A1 (0.37) RAB9AGAASMN1; SMN2LMNAALDH1A1
SCHEMBL16830873 0.66 CYP1A2 (0.34) RAB9AGAASMN1; SMN2LMNAALDH1A1
SCHEMBL5162572 0.64 RECQL (0.41) GAASMN1; SMN2LMNAALDH1A1HPGD

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 9 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
EP-1244625-A1 4-PYRIDINYL-N-ACYL-L-PHENYLALANINES F. HOFFMANN-LA ROCHE AG (CH) 2002-10-02 EP 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
WO-2001042215-A1 4-PYRIDINYL-N-ACYL-L-PHENYLALANINES F. HOFFMANN-LA ROCHE AG (CH) 2001-06-14 WO 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 RAB9A 3491/4885GAA 602/4885SMN1; SMN2 2206/4885
US-20020133015-A1 4-pyridinyl-N-acyl-L-phenylalanines VCAM1, ICAM1, SELPLG RAB9A 3491/4885GAA 602/4885SMN1; SMN2 2206/4885

“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.