SCHEMBL6234598

SCHEMBL6234598

Cc1cc(C(F)(F)F)n(C)c(=O)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.37
AR P10275 10/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PGR P06401 4/20 0.34
KDM4E B2RXH2 1/20 0.32
NQO2 P16083 1/20 0.32
PKM P14618 1/20 0.32
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32
RECQL P46063 1/20 0.31
EGFR P00533 1/20 0.31
RAD51 Q06609 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
SCHEMBL24759785 0.78 AR (0.36) ARGAARAB9ASMN1; SMN2PGR
SCHEMBL5162572 0.77 RECQL (0.41) GAASMN1; SMN2KDM4ERECQLEGFR
SCHEMBL25164695 0.71 POLB (0.33) ARGAARAB9ASMN1; SMN2
SCHEMBL8521071 0.70 CYP1A2 (0.44) IDH1RAB9ASMN1; SMN2KDM4ENQO2
SCHEMBL23664492 0.69 RECQL (0.36) ARGAASMN1; SMN2PGRRECQL
SCHEMBL26817054 0.68 GAA (0.37) ARGAARAB9ASMN1; SMN2KDM4E
SCHEMBL13680582 0.67 HTT (0.35)
SCHEMBL8957061 0.67 IDH1 (0.37) IDH1KDM4ENQO2
SCHEMBL11401212 0.67 NQO2 (0.35) IDH1KDM4ENQO2
SCHEMBL6239023 0.67 RAB9A (0.39) GAARAB9ASMN1; SMN2PGR

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
US-20040127706-A1 4-Pyridinyl-n-acyl-l-phenylalanines KAPLAN GERALD LEWIS (US) 2004-07-01 US 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 IDH1 2784/4885AR 4114/4885GAA 602/4885
US-20020133015-A1 4-pyridinyl-N-acyl-L-phenylalanines VCAM1, ICAM1, SELPLG IDH1 2784/4885AR 4114/4885GAA 602/4885

“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.