SCHEMBL962932

SCHEMBL962932

O=C(CBr)c1ccc(F)cc1F

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.61
CES1 P23141 3/20 0.61
PTPN1 P18031 1/20 0.53
ACKR3 P25106 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL29669985 1.00 CES2 (0.61) CES2CES1PTPN1ACKR3L3MBTL1
SCHEMBL2099037 0.84 CES2 (0.61) CES2CES1PTPN1
SCHEMBL932166 0.82 PTPN1 (0.48) CES2CES1PTPN1RAB9A
SCHEMBL691531 0.82 DGAT1 (0.61) CES2CES1PTPN1RAB9A
SCHEMBL30195364 0.82 PTPN1 (0.52) CES2CES1PTPN1RAB9A
SCHEMBL29993519 0.82 DGAT1 (0.61) CES2CES1PTPN1RAB9A
SCHEMBL615669 0.82 PTPN1 (0.52) CES2CES1PTPN1RAB9A
SCHEMBL1701610 0.82 PTPN1 (0.52) CES2CES1PTPN1RAB9AKCNH2
SCHEMBL3907360 0.82 CES2 (0.53) CES2CES1ACKR3L3MBTL1RAB9A
SCHEMBL8584 0.82 CES2 (0.63) CES2CES1ACKR3L3MBTL1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110288315-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE COMPOUND DAISO CO., LTD. (JP) 2011-11-24 US claimed
EP-2325178-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE COMPOUND DAISO CO., LTD. (JP) 2011-05-25 EP claimed
US-20250388582-A1 NOVEL BICYCLIC HETEROARYL COMPOUND AND USE THEREOF ILDONG PHARMACEUTICAL CO LTD (KR) 2025-12-25 US disclosed
US-20250257058-A1 COMPOSITIONS AND METHODS FOR INHIBITING CARP-1 BINDING TO NEMO US GOV VETERANS AFFAIRS (US) 2025-08-14 US disclosed
US-20250170117-A1 MODULATORS OF ACKR3 AND USES THEREOF INTERAX BIOTECH AG (CH) 2025-05-29 US disclosed
EP-4556476-A1 NOVEL BICYCLIC HETEROARYL COMPOUND AND USE THEREOF Ildong Pharmaceutical Co., Ltd. (KR) 2025-05-21 EP disclosed
EP-4508038-A1 COMPOSITIONS AND METHODS FOR INHIBITING CARP-1 BINDING TO NEMO The United States Government as represented by the Department of Veterans Affairs (US) 2025-02-19 EP disclosed
EP-4486739-A1 MODULATORS OF ACKR3 AND USES THEREOF InterAx Biotech AG (CH) 2025-01-08 EP disclosed
WO-2024028808-A1 AROMATIC COMPOUNDS FOR USE AS PROTEIN PHOSPHATASE 2A (PP2A) MODULATORS RAPPTA THERAPEUTICS OY (FI) 2024-02-08 WO disclosed
WO-2024014885-A1 NOVEL BICYCLIC HETEROARYL COMPOUND AND USE THEREOF 일동제약(주) 2024-01-18 WO disclosed
EP-3212636-B1 NEW PYRIDINYLOXY- AND PHENYLOXY-PYRAZOLYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2023-11-29 EP disclosed
US-5439917-A Phenyl-pyrrolo(2,3-b)pyridine antisecretory agent of gastric acid; adenosine triphosphatase enzyme inhibitor AKTIEBOLAGET ASTRA (SE) 1995-08-08 US disclosed
EP-0617031-A1 Orally active azole derivates J. URIACH & CIA. S.A. (ES) 1994-09-28 EP disclosed
EP-0580616-A1 NEW ACTIVE COMPOUNDS Astra Aktiebolag (SE) 1994-02-02 EP disclosed
EP-0509974-A1 Pyrrolo[2,3-b]pyridines having therapeutic activity and a process for the preparation thereof Astra Aktiebolag (SE) 1992-10-21 EP disclosed
WO-1992017477-A1 NEW ACTIVE COMPOUNDS AKTIEBOLAGET ASTRA (SE) 1992-10-15 WO disclosed
EP-0174769-B1 ANTIFUNGAL AZOLE COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-11-21 EP disclosed
US-4925863-A 1,3-DI(1,2,4-TRIAZOL-1-YL)-2-PROPANOL DERIVATIVES SUBSTITUTED WITH A STYRYL GROUP IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-15 US disclosed
EP-0174769-A1 Antifungal azole compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-03-19 EP disclosed
EP-0165775-A1 Antifungal azole compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-12-27 EP 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 (4 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-20110288315-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE COMPOUND CYP51A1, KMO, TALDO1 CES2 663/4885CES1 106/4885PTPN1 4327/4885
US-20250170117-A1 MODULATORS OF ACKR3 AND USES THEREOF ACKR3, PROKR2, PROKR1 CES2 3096/4885CES1 2441/4885PTPN1 3832/4885
US-20250257058-A1 COMPOSITIONS AND METHODS FOR INHIBITING CARP-1 BINDING TO NEMO PELI1, MALT1, MCTS1 CES2 2194/4885CES1 233/4885PTPN1 80/4885
US-20250388582-A1 NOVEL BICYCLIC HETEROARYL COMPOUND AND USE THEREOF GBA1, PIKFYVE, MAN2B1 CES2 1314/4885CES1 108/4885PTPN1 862/4885

“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.