SCHEMBL4700424

SCHEMBL4700424

CC(C)(Oc1ccc(C#N)cc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.64
PPARD Q03181 4/20 0.64
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
CYP2C19 P33261 2/20 0.61
MAPT P10636 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
SLC22A12 Q96S37 2/20 0.57
PPARG P37231 9/20 0.57
FABP2 P12104 1/20 0.53
TSHR P16473 2/20 0.49
LMNA P02545 2/20 0.49
CYP2C9 P11712 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
BLM P54132 1/20 0.49

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
SCHEMBL7824870 0.86 PPARA (0.52) PPARAPPARDMEN1KMT2ACYP2C19
SCHEMBL14602138 0.86 PPARA (0.50) PPARAPPARDMEN1KMT2ACYP2C19
SCHEMBL14468109 0.83 PPARA (0.50) PPARAPPARDMEN1KMT2ACYP2C19
SCHEMBL4790198 0.81 PPARA (0.53) PPARAPPARDSLC22A12PPARGALDH1A1
SCHEMBL9644757 0.81 PPARA (0.49) PPARAPPARDMEN1KMT2ACYP2C19
SCHEMBL3371877 0.80 PPARA (0.50) PPARAPPARDMEN1KMT2ACYP2C19
SCHEMBL1417805 0.80 PPARA (0.49) PPARAPPARDMEN1KMT2AMAPT
SCHEMBL4692295 0.79 PPARA (0.66) PPARAPPARDMAPTCYP1A2CYP3A4
SCHEMBL11545612 0.79 PPARA (0.71) PPARAPPARDMEN1KMT2ACYP2C19
SCHEMBL20594081 0.79 MMP2 (0.45) PPARAPPARDMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119823119-A Pol theta inhibitor and preparation method, pharmaceutical composition and application thereof 中国药科大学 2025-04-15 CN disclosed
US-20240132450-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 ACADIA PHARMACEUTICALS INC. 2024-04-25 US disclosed
EP-4263492-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 ACADIA Pharmaceuticals Inc. (US) 2023-10-25 EP disclosed
WO-2022129933-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 Pandeia Therapeutics Limited (GB) 2022-06-23 WO disclosed
US-10118916-B2 Modulators of cystic fibrosis transmembrane conductance regulator protein ABBVIE S.Á.R.L. (LU) 2018-11-06 US disclosed
WO-2017187321-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AbbVie S.à.r.l. (LU) 2017-11-02 WO disclosed
US-20170305891-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN ABBVIE S.Á.R.L. (LU) 2017-10-26 US disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
EP-1575901-B1 SUBSTITUTED AMIDES MERCK SHARP & DOHME (US) 2012-10-10 EP disclosed
US-8236805-B2 Substituted piperazines as CB1 antagonists INTERVET INC. (US) 2012-08-07 US disclosed
US-5093367-A Arylureidophenoxymethylpropionic acids which have activity in dissociation of oxygen from hemoglobin MONTEFIORE MEDICAL CENTER (US) 1992-03-03 US disclosed
EP-0471811-A1 ALLOSTERIC HEMOGLOBIN MODIFIERS. INNOVATIVE TECH CENTER (US) 1992-02-26 EP disclosed
EP-0420930-A4 METHOD OF SYNTHESIS AND NOVEL COMPOUNDS FOR PHARMACEUTICAL USES 1991-12-04 EP disclosed
US-5049695-A Substituted diphenyl carbamates CENTER FOR INNOVATIVE TECHNOLOGY (US) 1991-09-17 US disclosed
WO-1991012235-A1 ALLOSTERIC HEMOGLOBIN MODIFIERS CENTER FOR INNOVATIVE TECHNOLOGY (US) 1991-08-22 WO disclosed
EP-0420930-A1 METHOD OF SYNTHESIS AND NOVEL COMPOUNDS FOR PHARMACEUTICAL USES LALEZARI, Iraj (US) 1991-04-10 EP disclosed
US-4971982-A HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS, SMOOTH MUSCLE DISORDERS HOFFMANN-LA ROCHE INC. (US) 1990-11-20 US disclosed
US-4921997-A Method of synthesis and novel compounds for pharmaceutical uses MONTEFIORE MEDICAL CENTER (US) 1990-05-01 US disclosed
WO-1989012622-A1 METHOD OF SYNTHESIS AND NOVEL COMPOUNDS FOR PHARMACEUTICAL USES LALEZARI IRAJ (US) 1989-12-28 WO disclosed
EP-0298452-A2 2H-1-benzopyrane derivatives substituted in position 4 by aryl or N-heteroaryl F. HOFFMANN-LA ROCHE AG (CH) 1989-01-11 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-20170305891-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN CFTR, CHRM2, CHRM1 PPARA 2278/4885PPARD 1813/4885MEN1 2068/4885
US-20240132450-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 GPR88, GPR65, GPR68 PPARA 355/4885PPARD 408/4885MEN1 4737/4885
US-10118916-B2 Modulators of cystic fibrosis transmembrane conductance regulator protein CFTR, CHRM2, CHRM1 PPARA 2278/4885PPARD 1813/4885MEN1 2068/4885

“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.