Sugi Predict

Sugi Predict / Compounds / SCHEMBL3453385

SCHEMBL3453385

SCHEMBL3453385

O=S(=O)(c1cccc(Br)c1)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPAS1 Q99814 8/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA5A P35218 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ ATM Q13315 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ KAT6A Q92794 2/20 0.40
▸ ESPL1 Q14674 1/20 0.40
▸ P2RX1 P51575 1/20 0.40
▸ PGR P06401 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL30487708 1.00 EPAS1 (0.49) EPAS1CA1CA2CA5ACA9
SCHEMBL8519013 0.85 ALDH1A1 (0.57) EPAS1CA1CA2ALDH1A1MMP2
SCHEMBL7486543 0.83 LRRK2 (0.44) EPAS1CA1CA2CA5ACA9
SCHEMBL30409698 0.81 CA2 (0.46) EPAS1CA1CA2CA5ACA9
SCHEMBL27246459 0.81 CA2 (0.46) EPAS1CA1CA2CA5ACA9
SCHEMBL12325608 0.80 ALDH1A1 (0.44) CA1CA2CA5ACA9ALDH1A1
SCHEMBL13807378 0.79 ALDH1A1 (0.45) EPAS1ALDH1A1ESPL1
SCHEMBL1272213 0.78 ALDH1A1 (0.50) EPAS1CA1CA2CA9ALDH1A1
SCHEMBL21585242 0.78 CA1 (0.42) CA1CA2CA5ACA9ALDH1A1
SCHEMBL17288903 0.78 ALDH1A1 (0.50) EPAS1CA1CA2ALDH1A1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 — — US disclosed
CN-119301113-A Novel heterocyclic carbonyl cyclic compounds as MAGL inhibitors 豪夫迈·罗氏有限公司 2025-01-10 — — CN disclosed
US-20240383904-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-11-21 — — US disclosed
US-11981661-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-05-14 — — US disclosed
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 — — EP disclosed
CN-110799490-B 3-arylpropionamide compound and method for producing 3-arylpropionate compound 住友化学株式会社 2023-05-02 — — CN disclosed
CN-115989228-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-04-18 — — CN disclosed
US-20220098176-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-03-31 — — US disclosed
EP-3956330-A1 SUBSTITUTED 2-AMINO-PYRAZOLYL-[1,2,4]TRIAZOLO[1,5A] PYRIDINE DERIVATIVES AND USE THEREOF The Johns Hopkins University (US) 2022-02-23 — — EP disclosed
US-11028056-B2 Method for producing 3-arylpropionamide compound and 3-arylpropionic acid ester compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-06-08 — — US disclosed
US-7417043-B2 Modulators of dopamine neurotransmission NEUROSEARCH SWEDEN AB (SE) 2008-08-26 — — US disclosed
US-20060135531-A1 Modulators of dopamine neurotransmission A. CARLSSON RESEARCH AB (SE) 2006-06-22 — — US disclosed
EP-1240142-B1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION CARLSSON A RESEARCH AB (SE) 2005-10-19 — — EP disclosed
US-6903120-B2 A 4-(phenyl-N- alkyl)-piperidine derivatives for treatment of central nervous system disorders, Parkinson disease, anxiety, dyskinesias, dystonias, Tourette's disease, psychoses, hallucinoses, sleep disorder, autism A. CARLSSON RESEARCH AB (SE) 2005-06-07 — — US disclosed
EP-1428822-A2 1-phenylpiperazine derivative as modulators of dopamine neurotransmission A. Carlsson Research AB (SE) 2004-06-16 — — EP disclosed
EP-1240141-B1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION CARLSSON A RESEARCH AB (SE) 2003-11-19 — — EP disclosed
US-20030139423-A1 Modulators of dopamine neurotransmission TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2003-07-24 — — US disclosed
US-20030109532-A1 Modulators of dopamine neurotransmission A. CARLSSON RESEARCH AB (SE) 2003-06-12 — — US disclosed
EP-1240141-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. Carlsson Research AB (SE) 2002-09-18 — — EP disclosed
WO-2001046144-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2001-06-28 — — 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 (8 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-20060135531-A1 Modulators of dopamine neurotransmission SLC6A3, BRS3, CHRNA3 EPAS1 2924/4885CA1 2538/4885CA2 1620/4885
US-20220098176-A1 HETEROCYCLIC COMPOUNDS CBR3, BRIX1, CCNY EPAS1 4527/4885CA1 3624/4885CA2 3696/4885
US-20030139423-A1 Modulators of dopamine neurotransmission OPRD1, OPRK1, OPRM1 EPAS1 3823/4885CA1 3785/4885CA2 2570/4885
US-20240383904-A1 HETEROCYCLIC COMPOUNDS MAGI3, MAG, MAGT1 EPAS1 3766/4885CA1 3109/4885CA2 3641/4885
US-20030109532-A1 Modulators of dopamine neurotransmission OPRD1, CHRNA5, OPRM1 EPAS1 4267/4885CA1 3436/4885CA2 2065/4885
US-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY EPAS1 4527/4885CA1 3624/4885CA2 3696/4885
US-20250099448-A1 HETEROCYCLIC COMPOUNDS OPRM1, CYP1A1, CYP3A4 EPAS1 3804/4885CA1 3030/4885CA2 4628/4885
US-11028056-B2 Method for producing 3-arylpropionamide compound and 3-arylpropionic acid ester compound AADAC, DDT, NAT1 EPAS1 3842/4885CA1 1190/4885CA2 728/4885

“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.