SCHEMBL1689752

SCHEMBL1689752

Cc1cc(C(F)(F)F)c(I)c(=O)n1C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.35
COMT P21964 1/20 0.34
ITGB1 P05556 4/20 0.34
ITGA4 P13612 4/20 0.34
ITGB7 P26010 4/20 0.34
PGR P06401 5/20 0.33
TP53 P04637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HSD11B1 P28845 1/20 0.33

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
SCHEMBL14818821 0.81 AR (0.37) ARCOMTITGB1ITGA4ITGB7
SCHEMBL24437199 0.78 COMT (0.40) ARCOMTITGB1ITGA4ITGB7
SCHEMBL20051737 0.78 AR (0.35) ARCOMTITGB1ITGA4ITGB7
SCHEMBL22982577 0.76 AR (0.38) ARPGRHSD11B1
SCHEMBL20051827 0.75 ITGB1 (0.37) ARCOMTITGB1ITGA4ITGB7
SCHEMBL22017511 0.75 AR (0.34) ARCOMTITGB1ITGA4ITGB7
SCHEMBL14803746 0.75 ITGB1 (0.36) ARCOMTITGB1ITGA4ITGB7
SCHEMBL15700364 0.74 GRIA1 (0.35) ARCOMTITGB1ITGA4ITGB7
SCHEMBL21957045 0.71 GRIA1 (0.38) KDM4EGAA
SCHEMBL6239023 0.70 RAB9A (0.39) ITGB1ITGA4ITGB7PGRALDH1A1

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 79 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250195485-A1 PROPIONIC ACID DERIVATIVE AND MEDICAL USE THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2025-06-19 US disclosed
EP-4541422-A2 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS Gilead Sciences, Inc. (US) 2025-04-23 EP disclosed
CN-119462635-A Quinoline derivatives as alpha 4 beta 7 integrin inhibitors 吉利德科学公司 2025-02-18 CN disclosed
CN-119431230-A Compounds for inhibiting alpha 4 beta 7 integrin 吉利德科学公司 2025-02-14 CN disclosed
US-20250032473-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2025-01-30 US disclosed
EP-3873900-B1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES GILEAD SCIENCES INC (US) 2025-01-08 EP disclosed
EP-3873884-B1 3-(QUINOLIN-8-YL)-1,4-DIHYDROPYRIDO[3,4-D]PYRIMIDIN-2,4-DIONE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES GILEAD SCIENCES INC (US) 2024-12-04 EP disclosed
CN-114222730-B Compounds for inhibiting alpha 4 beta 7 integrin 吉利德科学公司 2024-09-10 CN disclosed
CN-118591535-A Propionic acid derivative and application thereof in medicine 西藏海思科制药有限公司 2024-09-03 CN disclosed
CN-112969687-B Quinoline derivatives as a4 b 7 integrin inhibitors 吉利德科学公司 2024-08-23 CN disclosed
EP-2190808-A1 LEUKOTRIENE B4 INHIBITORS F. Hoffmann-Roche AG (CH) 2010-06-02 EP disclosed
WO-2009024492-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-26 WO disclosed
US-20090054466-A1 Leukotriene B4 Inhibitors DOMINIQUE ROMYR 2009-02-26 US disclosed
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 (5 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-20090054466-A1 Leukotriene B4 Inhibitors LTB4R2, LTB4R, LTC4S AR 4062/4885COMT 2986/4885ITGB1 411/4885
US-20040127706-A1 4-Pyridinyl-n-acyl-l-phenylalanines VCAM1, ICAM1, SELPLG AR 4114/4885COMT 818/4885ITGB1 13/4885
US-20250195485-A1 PROPIONIC ACID DERIVATIVE AND MEDICAL USE THEREOF ITGB7, ITGAV, ITGAL AR 1420/4885COMT 1107/4885ITGB1 6/4885
US-20250032473-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 AR 3803/4885COMT 1798/4885ITGB1 3359/4885
US-20020133015-A1 4-pyridinyl-N-acyl-L-phenylalanines VCAM1, ICAM1, SELPLG AR 4114/4885COMT 818/4885ITGB1 13/4885

“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.