SCHEMBL4063592

SCHEMBL4063592

O=C(O)C(F)CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ KEAP1 Q14145 1/20 0.48
▸ DPP4 P27487 1/20 0.47
▸ MMP2 P08253 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ MMP12 P39900 1/20 0.47
▸ MMP13 P45452 1/20 0.47
▸ MMP14 P50281 1/20 0.47
▸ ANPEP P15144 2/20 0.47
▸ ERAP1 Q9NZ08 2/20 0.47
▸ ERAP2 Q6P179 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ MME P08473 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ PPARA Q07869 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL6628999 1.00 CNR2 (0.49) CNR2TSHRKEAP1DPP4MMP2
SCHEMBL11835990 0.89 MMP12 (0.63) TSHRMMP2MMP9MMP12MMP13
SCHEMBL3489217 0.88 GRIK1 (0.54) KEAP1PPARGPPARASMN1; SMN2
SCHEMBL27587469 0.84 ERAP1 (0.49) CNR2TSHRKEAP1ANPEPERAP1
SCHEMBL6879395 0.82 TSHR (0.67) CNR2TSHR
SCHEMBL28033790 0.82 ALDH1A1 (0.47) MMP2MMP9MMP12MMP13MMP14
SCHEMBL10779182 0.82 MDM2 (0.52) CNR2TSHRKEAP1DPP4ANPEP
SCHEMBL27830258 0.81 TAAR1 (0.47) SMN1; SMN2
SCHEMBL2291948 0.80 MMP8 (0.56) CNR2TSHRKEAP1ANPEPERAP1
SCHEMBL28028204 0.80 CNR2 (0.46) CNR2TSHRKEAP1ANPEPERAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2033635-A1 Short-chain fatty acid derivatives for treating pruritus Asan Laboratories Company (Cayman) Limited (CN) 2009-03-11 — — EP claimed
US-20080107646-A1 Administering phenylbutyric acid derivative and pharmaceutically acceptable carrier Sunny Pharmtech Inc. (TW) 2008-05-08 — — US claimed
US-6403646-B1 ADMINISTERING PHENYLBUTYRIC ACID OR DERIVATIVES TO TREAT LIVER DISEASE AND EMPHYSEMA CAUSED BY PROTEASE INHIBITOR TYPE Z MUTATION; STIMULATES SECRETION WITHOUT INCREASING SYNTHESIS OF PROTEIN PERLMUTTER DAVID H (US) 2002-06-11 — — US claimed
CN-119639276-A Ink composition, semiconductor nanoparticle-polymer composite prepared therefrom, electronic device, and display device 三星电子株式会社 2025-03-18 — — CN disclosed
US-20230138393-A1 LINKING AMINO ACID SEQUENCES, MANUFACTURING METHOD THEREOF, AND USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-04 — — US disclosed
WO-2021163467-A1 LINKING AMINO ACID SEQUENCES, MANUFACTURING METHOD THEREOF, AND USE THEREOF TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-08-19 — — WO disclosed
US-8846039-B2 Method for ameliorating pruritus ASAN LABORATORIES COMPANY (CAYMAN), LIMITED (TW) 2014-09-30 — — US disclosed
CN-101218203-B Fluorinated derivatives of 4- (2-amino-1-hydroxyethyl) phenol as beta 2 adrenoreceptor agonists ALMIRALL SA 2012-05-30 — — CN disclosed
CN-101380317-B Pharmaceutical composition for relieving pruritus CAYMAN ISLAND SHANGANSHENG DEV PHARMACEUTICAL CO LTD 2010-12-08 — — CN disclosed
US-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS SYNDEXA PHARMACEUTICALS CORPORATION (US) 2009-05-21 — — US disclosed
US-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS SYNDEXA PHARMACEUTICALS CORPORATION (US) 2009-05-21 — — US disclosed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 — — EP disclosed
CN-1425002-A Pyrrolidine and piperidine derivatives and their use for treatment of neurodegenerative disorders HOFFMANN LA ROCHE (CH) 2003-06-18 — — CN disclosed
EP-1278728-A1 PYRROLIDINE AND PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-01-29 — — EP disclosed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 — — WO disclosed
US-6451819-B2 PYRROLIDINE-3-YL-SULFANYL, OR SUFONYL OR SUFINYL DERIVATIVES USED IN THE TREATMENT OF NEURODEGENERATIVE DISEASES HOFFMANN-LA ROCHE INC. 2002-09-17 — — US disclosed
US-6403646-B1 ADMINISTERING PHENYLBUTYRIC ACID OR DERIVATIVES TO TREAT LIVER DISEASE AND EMPHYSEMA CAUSED BY PROTEASE INHIBITOR TYPE Z MUTATION; STIMULATES SECRETION WITHOUT INCREASING SYNTHESIS OF PROTEIN PERLMUTTER DAVID H (US) 2002-06-11 — — US disclosed
US-20010047031-A1 Heterocyclic compounds useful as NMDA receptor selective subtype blockers HOFFMANN-LA ROCHE INC. 2001-11-29 — — US disclosed
WO-2001081303-A1 PYRROLIDINE AND PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREAMENT OF NEURODEGENERATIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-01 — — WO disclosed
EP-0295604-A1 (E)-2-(p-Fluorophenethyl)-3-fluoroallylamine MERRELL DOW PHARMACEUTICALS INC. (US) 1988-12-21 — — 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 (3 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-20230138393-A1 LINKING AMINO ACID SEQUENCES, MANUFACTURING METHOD THEREOF, AND USE THEREOF BCAT2, BCAT1, AARS1 CNR2 4093/4885TSHR 4518/4885KEAP1 2698/4885
US-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS NR1H3, NR1H2, SREBF1 CNR2 960/4885TSHR 4546/4885KEAP1 57/4885
US-20010047031-A1 Heterocyclic compounds useful as NMDA receptor selective subtype blockers GRIN1, GRM1, GRIN2B CNR2 82/4885TSHR 1060/4885KEAP1 722/4885

“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.

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