SCHEMBL1700933

SCHEMBL1700933

O=CC(Br)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.46
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
ACP3 P15309 1/20 0.41
PDE2A O00408 1/20 0.38
CYP1A2 P05177 1/20 0.37
PTPN1 P18031 1/20 0.37
HSD11B1 P28845 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
KIF11 P52732 1/20 0.35
EPHX2 P34913 1/20 0.35
FBP1 P09467 1/20 0.35
BACE1 P56817 1/20 0.35
PDPK1 O15530 1/20 0.35

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
SCHEMBL3250437 0.79 CES2 (0.39) GSK3BCES2
SCHEMBL2784786 0.79 GSK3B (0.41) GSK3BCES2CES1ACP3PDE2A
SCHEMBL4963831 0.79 TSHR (0.47) CYP1A2ALDH1A1TSHR
SCHEMBL22800995 0.79 TSHR (0.47) CYP1A2ALDH1A1TSHR
SCHEMBL5185160 0.78 CES2 (0.46) GSK3BCES2CES1ACP3PDE2A
SCHEMBL15333298 0.78 CES2 (0.46) GSK3BCES2CES1ACP3PDE2A
SCHEMBL40176 0.77 ACP3 (0.47) CES2ACP3TSHRFBP1
SCHEMBL11320769 0.77 CES2 (0.44) GSK3BCES2CES1ACP3PDE2A
SCHEMBL16601182 0.76 OPRD1 (0.36) PDE2AHSD11B1TSHR
SCHEMBL168223 0.76 IDO1 (0.38) CES2CES1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4288412-A1 MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME Rappta Therapeutics Oy (FI) 2023-12-13 EP disclosed
US-20200048205-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2020-02-13 US disclosed
EP-3544980-A1 GSK-3 INHIBITORS Bristol-Myers Squibb Company (US) 2019-10-02 EP disclosed
EP-3475276-A1 THIAZOLE DERIVATIVES USEFUL AS MUTANT IDH1 INHIBITORS FOR TREATING CANCER The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) 2019-05-01 EP disclosed
EP-3362446-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A MORPHOLINE MOIETY Indivior UK Limited (GB) 2018-08-22 EP disclosed
WO-2018098411-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-31 WO disclosed
EP-3325471-A1 COLONY STIMULATING FACTOR-1 RECEPTOR (CSF-1R) INHIBITORS Genzyme Corporation (US) 2018-05-30 EP disclosed
EP-3283464-A1 FACTOR XIa INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-02-21 EP disclosed
WO-2017223202-A1 THIAZOLE DERIVATIVES USEFUL AS MUTANT IDH1 INHIBITORS FOR TREATING CANCER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-12-28 WO disclosed
EP-3237385-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER The United States of America, as represented by The Secretary, Department of Health and Human Services (US) 2017-11-01 EP disclosed
WO-2007099548-A2 NOVEL 11 BETA - HYDROXYANDROSTA-4-ENE-3-ONES SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2007-09-07 WO disclosed
WO-2007089557-A2 POLYCYCLIC 1, 2, 3, 4 -TETRAHYDRO- ISOQUINOLINE DERIVATIVES AND COMPOSITIONS COMPRISING THEM AS PPAR MODULATORS IRM LLC (BM) 2007-08-09 WO disclosed
WO-2007056366-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-05-18 WO disclosed
WO-2007056496-A1 OXAZOLE AND THIAZOLE PPAR MODULATOR IRM LLC (BM) 2007-05-18 WO disclosed
WO-2006122250-A2 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF ABBOTT LABORATORIES (US) 2006-11-16 WO disclosed
WO-2006057503-A1 NOVEL COMPOUNDS AS AGONIST FOR PPARϜ AND PPARα, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES, LTD. (KR) 2006-06-01 WO disclosed
WO-2003055479-A1 COMPOUNDS AND THEIR THERAPEUTIC USE RELATED TO THE PHOSPHORYLATING ACTIVITY OF THE ENZYME GSK-3 CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2003-07-10 WO disclosed
EP-1194144-A4 ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2002-08-07 EP disclosed
EP-1194144-A1 ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-10 EP disclosed
WO-2000071120-A1 ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2000-11-30 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 (1 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-20200048205-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR2C GSK3B 1376/4885CES2 1755/4885CES1 2423/4885

“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.