SCHEMBL2174894

SCHEMBL2174894

Oc1ccc(CC(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.58
ESR2 Q92731 12/20 0.52
ABAT P80404 1/20 0.46
BLM P54132 2/20 0.45
CA2 P00918 2/20 0.44
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
SLC6A2 P23975 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTR3A P46098 1/20 0.42
BACE1 P56817 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
IDO1 P14902 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
CA12 O43570 1/20 0.42
GMNN O75496 1/20 0.42

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
SCHEMBL27597539 0.91 ESR1 (0.50) ESR1ESR2ABATBLMCA2
Trifluoroacetic Acid SCHEMBL30392295 0.87 BLM (0.55) ESR1ESR2BLMCA2ALDH1A1
SCHEMBL7670360 0.86 ESR1 (0.38) ESR1ESR2ALDH1A1SLC6A2CYP2C19
SCHEMBL27537002 0.85 ESR1 (0.61) ESR1ESR2BLMALDH1A1SLC6A2
SCHEMBL11467045 0.84 ESR1 (0.48) ESR1ESR2ABATBLM
SCHEMBL15535667 0.79 TSHR (0.43) ESR1CA2CA12CA1CA4
SCHEMBL25596195 0.77 BLM (0.63) ESR1ESR2ABATBLMCA2
SCHEMBL25596196 0.77 BLM (0.63) ESR1ESR2ABATBLMCA2
SCHEMBL10570 0.76 ALDH1A1 (0.52) KDM4EALDH1A1TAAR1MEN1CYP3A4
SCHEMBL7109436 0.76 ESR1 (0.61) ESR1ESR2ABATBLMCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111087650-B Vulcanizing agent system for fluororubber, fluororubber compound and application 浙江加诚新材料有限公司 2021-06-29 CN claimed
CN-111087650-A Vulcanizing agent system for fluororubber, fluororubber compound and application 浙江加诚新材料有限公司 2020-05-01 CN claimed
US-20260132109-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2026-05-14 US disclosed
EP-3924058-B1 5-ALKYL PYRROLIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2026-01-07 EP disclosed
US-12503436-B2 Compounds and compositions for treating conditions associated with STING activity NOVARTIS PHARMA AG (CH) 2025-12-23 US disclosed
EP-4384503-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2024-06-19 EP disclosed
US-20230167057-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-06-01 US disclosed
EP-4182313-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. (US) 2023-05-24 EP disclosed
WO-2023018781-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2023-02-16 WO disclosed
WO-2023018781-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2023-02-16 WO disclosed
US-20220185815-A1 PYRROLOPYRAZOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-06-16 US disclosed
US-20010014688-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR BARTA THOMAS E (US) 2001-08-16 US disclosed
EP-1042290-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-10-11 EP disclosed
WO-2000050396-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-08-31 WO disclosed
WO-1999025687-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 1999-05-27 WO disclosed
EP-0091512-B1 6-FLUORO-3-(3-(1-HETEROCYCLO)PROPYL)-1,2-BENZISOXAZOLES, A PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE AS MEDICAMENTS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1988-05-11 EP disclosed
US-4598152-A ANTIPSYCHOTICS, HYPOTENSIVE AGENTS, ANALGESICS HOECHST-ROUSSEL PHARMACUETICALS INC. (US) 1986-07-01 US disclosed
US-4591586-A ANALGESICS, HYPOTENSIVE AGENTS HOECHST-ROUSSEL PHARMACEUTICALS (US) 1986-05-27 US disclosed
US-4524209-A TREATMENT OF PSYCHOSIS AND ALLEVIATION OF PAIN HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-06-18 US disclosed
US-4458075-A ANALGESICS, ANTIPSYCHOTICS, HYPOTENSIVES HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1984-07-03 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 (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-20260132109-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, IRF3, CGAS ESR1 1212/4885ESR2 884/4885ABAT 3289/4885
US-12503436-B2 Compounds and compositions for treating conditions associated with STING activity STING1, CGAS, IRF3 ESR1 1106/4885ESR2 1201/4885ABAT 3600/4885
US-20220185815-A1 PYRROLOPYRAZOLE DERIVATIVE PTDSS1, PTDSS2, SMPD1 ESR1 3756/4885ESR2 4069/4885ABAT 1644/4885
US-20010014688-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR MMP13, MMP9, MMP10 ESR1 3403/4885ESR2 2432/4885ABAT 814/4885
US-20230167057-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 ESR1 1106/4885ESR2 1201/4885ABAT 3600/4885

“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.