SCHEMBL3364938

SCHEMBL3364938

O=C(O)CCc1ccc(CBr)cc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 15/20 0.65
KEAP1 Q14145 1/20 0.64
FFAR4 Q5NUL3 5/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL69746 0.88 FFAR1 (0.81) FFAR1KEAP1FFAR4CA1CA2
SCHEMBL11724879 0.87 SMN1; SMN2 (0.67) FFAR1KEAP1CES2CES1LMNA
SCHEMBL27301663 0.86 FFAR1 (0.65) FFAR1KEAP1FFAR4CA1CA2
Hydrochloric Acid SCHEMBL25264643 0.85 FFAR1 (0.77) FFAR1KEAP1FFAR4CA1CA2
SCHEMBL28986905 0.85 MAPT (0.66) FFAR1LMNA
SCHEMBL5499163 0.84 MAPT (0.69) FFAR1
SCHEMBL5455 0.82 FFAR1 (0.71) FFAR1KEAP1FFAR4CA1CA2
SCHEMBL3533619 0.81 FFAR1 (0.87) FFAR1KEAP1FFAR4CA1CA2
SCHEMBL11424035 0.81 FFAR1 (0.71) FFAR1KEAP1FFAR4CA1CA2
SCHEMBL14066660 0.81 FFAR1 (0.87) FFAR1KEAP1FFAR4CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115710173-A Preparation method of p-bromomethylphenyl propionic acid 贵州天豪民族药业有限公司 2023-02-24 CN claimed
CN-115710173-A Preparation method of p-bromomethylphenyl propionic acid 贵州天豪民族药业有限公司 2023-02-24 CN disclosed
EP-3476829-B1 BIARYL UREA DERIVATIVE OR SALT THEREOF, AND MANUFACTURING AND APPLICATION OF SAME UNIV FUDAN (CN) 2021-12-15 EP disclosed
CN-108586233-B Method for synthesizing 2- (4' -bromomethylphenyl) propionate 湖北迅达药业股份有限公司 2021-05-18 CN disclosed
US-10851050-B2 Biaryl urea derivative or salt thereof and preparation process and use for the same FUDAN UNIVERSITY (CN) 2020-12-01 US disclosed
US-20200239411-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF AND PREPARATION PROCESS AND USE FOR THE SAME UNIV FUDAN (CN) 2020-07-30 US disclosed
US-10647665-B2 Biaryl urea derivative or salt thereof and preparation process and use for the same FUDAN UNIVERSITY (CN) 2020-05-12 US disclosed
US-20190248737-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF AND PREPARATION PROCESS AND USE FOR THE SAME FUDAN UNIVERSITY (CN) 2019-08-15 US disclosed
EP-3476829-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF, AND MANUFACTURING AND APPLICATION OF SAME Fudan University (CN) 2019-05-01 EP disclosed
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds GILEAD SCIENCES. INC. 2005-10-27 US disclosed
US-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. 2005-09-22 US disclosed
WO-2005064008-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-07-14 WO disclosed
EP-1509537-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2005-03-02 EP disclosed
WO-2003090690-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2003-11-06 WO disclosed
EP-0526488-B1 BENZYLPHOSPHONIC ACID TYROSINE KINASE INHIBITORS PFIZER (US) 1994-11-30 EP disclosed
US-5326905-A Benzylphosphonic acid tyrosine kinase inhibitors PFIZER INC. (US) 1994-07-05 US disclosed
EP-0526488-A1 BENZYLPHOSPHONIC ACID TYROSINE KINASE INHIBITORS. PFIZER (US) 1993-02-10 EP disclosed
WO-1991015495-A1 BENZYLPHOSPHONIC ACID TYROSINE KINASE INHIBITORS PFIZER INC. (US) 1991-10-17 WO disclosed
US-4032533-A PROSTAGLANDIN MIMICS OR ANTAGONISTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-06-28 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 (6 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-20200239411-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF AND PREPARATION PROCESS AND USE FOR THE SAME RORC, RORB, RORA FFAR1 849/4885KEAP1 421/4885FFAR4 1024/4885
US-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds PPA1, PPME1, PNP FFAR1 4493/4885KEAP1 3679/4885FFAR4 4529/4885
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS FFAR1 3048/4885KEAP1 4019/4885FFAR4 2236/4885
US-20190248737-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF AND PREPARATION PROCESS AND USE FOR THE SAME RORC, RORB, RORA FFAR1 702/4885KEAP1 356/4885FFAR4 910/4885
US-10647665-B2 Biaryl urea derivative or salt thereof and preparation process and use for the same RORC, RORB, RORA FFAR1 702/4885KEAP1 356/4885FFAR4 910/4885
US-10851050-B2 Biaryl urea derivative or salt thereof and preparation process and use for the same RORC, RORB, RORA FFAR1 849/4885KEAP1 421/4885FFAR4 1024/4885

“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.