SCHEMBL1017920

SCHEMBL1017920

CC(C(=O)O)c1cc(F)cc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.47
PTGS1 P23219 7/20 0.47
AKR1C3 P42330 5/20 0.47
AKR1C2 P52895 4/20 0.47
CYP2C9 P11712 3/20 0.47
MAPT P10636 3/20 0.47
SLC22A6 Q4U2R8 3/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP2C19 P33261 2/20 0.47
HPGD P15428 2/20 0.47
HIF1A Q16665 2/20 0.47
PSEN1 P49768 2/20 0.47
PSEN2 P49810 2/20 0.47
APH1B Q8WW43 2/20 0.47
NCSTN Q92542 2/20 0.47
APH1A Q96BI3 2/20 0.47
PSENEN Q9NZ42 2/20 0.47
FABP2 P12104 1/20 0.47

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
SCHEMBL1679174 0.86 APP (0.53) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
SCHEMBL29415828 0.86 PTGS2 (0.41) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
SCHEMBL1500630 0.86 PTGS2 (0.41) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
SCHEMBL27501994 0.83 AKR1C3 (0.51) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
SCHEMBL10443320 0.83 CES2 (0.42) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
SCHEMBL2183822 0.79 PTGS1 (0.59) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
SCHEMBL8136359 0.79 PTGS1 (0.59) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
SCHEMBL8136361 0.79 PTGS1 (0.59) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
SCHEMBL22088584 0.78 CES2 (0.42) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
SCHEMBL298241 0.78 AKR1C3 (0.53) PTGS2PTGS1AKR1C3AKR1C2CYP2C9

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
EP-0553107-A1 PROTEIN KINASE C MODULATORS WITH ANTI-INFLAMMATORY AND ANTIVIRAL ACTIVITY PROCYON PHARMACEUTICALS, INC. (US) 1993-08-04 EP claimed
WO-2025074305-A1 N-(1-(AMINOMETHYL)CYCLOPROPYL)(ARYL OR HETEROARYL) CARBOXAMIDE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-04-10 WO disclosed
CN-118666764-A Triazole amide compound, preparation method and application thereof 中国人民解放军海军军医大学 2024-09-20 CN disclosed
WO-2023141852-A1 CDK2 INHIBITORS, PREPARATION METHOD THEREFOR AND USE THEREOF 益方生物科技(上海)股份有限公司 2023-08-03 WO disclosed
US-20230151049-A1 Compounds Useful in HIV Therapy VIIV HEALTHCARE COMPANY (US) 2023-05-18 US disclosed
EP-4126888-A1 COMPOUNDS USEFUL IN HIV THERAPY VIIV Healthcare Company (US) 2023-02-08 EP disclosed
WO-2021194828-A1 COMPOUNDS USEFUL IN HIV THERAPY VIIV HEALTHCARE COMPANY (US) 2021-09-30 WO disclosed
CN-106103439-B 2,7- diaza spiro [3.5] nonane compound 瑞敏德股份有限公司 2019-03-08 CN disclosed
EP-3119782-B1 2,7-DIAZASPIRO[3.5]NONANE COMPOUNDS REMYND NV (BE) 2018-01-31 EP disclosed
US-9750745-B2 2,7-diazaspiro[3.5]nonane compounds REMYND NV (BE) 2017-09-05 US disclosed
WO-2007064566-A2 HETEROCYCLE-SUBSTITUTED 3-ALKYL AZETIDINE DERIVATIVES MERCK & CO., INC. (US) 2007-06-07 WO disclosed
US-20070123505-A1 Heterocycle-substituted 3-alkyl azetidine derivatives MERCK SHARP & DOHME CORP. 2007-05-31 US disclosed
US-20060293299-A1 Substituted 3-alkyl and 3-alkenyl azetidine derivatives MERCK SHARP & DOHME CORP. 2006-12-28 US disclosed
US-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors BIEDIGER RONALD J 2006-12-07 US disclosed
EP-1636181-A1 SUBSTITUTED 3-ALKYL AND 3-ALKENYL AZETIDINE DERIVATIVES Merck & Co., Inc. (US) 2006-03-22 EP disclosed
US-6972296-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-06 US disclosed
WO-2005000809-A1 SUBSTITUTED 3-ALKYL AND 3-ALKENYL AZETIDINE DERIVATIVES MERCK & CO., INC. (US) 2005-01-06 WO disclosed
US-20040171643-A1 Acylaminothiazole derivatives, their preparation and therapeutic use SANOFI (FR) 2004-09-02 US disclosed
EP-0553107-A1 PROTEIN KINASE C MODULATORS WITH ANTI-INFLAMMATORY AND ANTIVIRAL ACTIVITY PROCYON PHARMACEUTICALS, INC. (US) 1993-08-04 EP disclosed
EP-0386243-A1 PLATINUM (II) COMPLEXES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1990-09-12 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 (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-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, ITGA1 PTGS2 3523/4885PTGS1 1253/4885AKR1C3 809/4885
US-20070123505-A1 Heterocycle-substituted 3-alkyl azetidine derivatives CNR1, CNR2, FAAH PTGS2 2146/4885PTGS1 1400/4885AKR1C3 2172/4885
US-20230151049-A1 Compounds Useful in HIV Therapy CCR5, CD4, NPC1 PTGS2 1853/4885PTGS1 1294/4885AKR1C3 324/4885
US-20040171643-A1 Acylaminothiazole derivatives, their preparation and therapeutic use H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR3, CBR1 PTGS2 3119/4885PTGS1 1525/4885AKR1C3 14/4885
US-20060293299-A1 Substituted 3-alkyl and 3-alkenyl azetidine derivatives CNR1, CNR2, MAG PTGS2 2061/4885PTGS1 1293/4885AKR1C3 2468/4885

“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.