SCHEMBL4052142

SCHEMBL4052142

Cc1ccc(C(O)CCC(N)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
NR3C2 P08235 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.41
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ACHE P22303 1/20 0.40
MAPT P10636 1/20 0.37
STAT3 P40763 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL11838668 0.83 KMT2A (0.48) ALOX5L3MBTL1ACHEMAPTCNR1
SCHEMBL14093005 0.83 ALOX5 (0.49) ALOX5CYP2C19LMNAALDH1A1L3MBTL1
SCHEMBL28957129 0.81 AOC3 (0.47)
SCHEMBL28957128 0.81 AOC3 (0.47)
SCHEMBL5132748 0.81 HTT (0.40) ALOX5NR3C2L3MBTL1
SCHEMBL4310166 0.81 HTT (0.40) ALOX5NR3C2L3MBTL1
SCHEMBL22190392 0.81 BCAT2 (0.36)
SCHEMBL5462636 0.81 BCAT2 (0.55) CYP2C19LMNAL3MBTL1
SCHEMBL2089538 0.81 BCAT2 (0.55) CYP2C19LMNAL3MBTL1
SCHEMBL5470948 0.81 BCAT2 (0.55) CYP2C19LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080173808-A1 PROCESS AND DEVICE FOR RESPONSE NORMALIZED LIQUID CHROMATOGRAPHY NANOSPRAY IONIZATION MASS SPECTROMETRY (RNLC-NSI-MS) SCHERING CORPORATION 2008-07-24 US claimed
US-12616685-B2 Concomitant administration of glucocorticoid receptor modulator relacorilant and CYP2C9 substrates CORCEPT THERAPEUTICS INCORPORATED (US) 2026-05-05 US disclosed
US-12528790-B2 Amide derivative having antiviral activity SHIONOGI & CO., LTD. (JP) 2026-01-20 US disclosed
WO-2025085756-A1 MACROCYCLIC COMPOUNDS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2025-04-24 WO disclosed
CN-118792241-B Culture medium, method, model and application of primary hepatocyte culture 3D liver model 上海合珀生物科技有限公司 2024-12-17 CN disclosed
CN-118792241-A Culture medium, method, model and application of primary hepatocyte culture 3D liver model 上海合珀生物科技有限公司 2024-10-18 CN disclosed
EP-4414376-A2 NOVEL DEPSIPEPTIDE AND USES THEREOF Novobiotic Pharmaceuticals, LLC (US) 2024-08-14 EP disclosed
US-20230382893-A1 AMIDE DERIVATIVE HAVING ANTIVIRAL ACTIVITY SHIONOGI & CO., LTD. (JP) 2023-11-30 US disclosed
EP-4238960-A1 AMIDE DERIVATIVE HAVING ANTIVIRAL ACTIVITY Shionogi & Co., Ltd (JP) 2023-09-06 EP disclosed
EP-4157274-A1 CONCOMITANT ADMINISTRATION OF GLUCOCORTICOID RECEPTOR MODULATOR RELACORILANT AND CYP2C9 SUBSTRATES Corcept Therapeutics Incorporated (US) 2023-04-05 EP disclosed
WO-2021242916-A1 CONCOMITANT ADMINISTRATION OF GLUCOCORTICOID RECEPTOR MODULATOR RELACORILANT AND CYP2C9 SUBSTRATES CORCEPT THERAPEUTICS INCORPORATED (US) 2021-12-02 WO disclosed
EP-3916004-A1 NOVEL DEPSIPEPTIDE AND USES THEREOF Novobiotic Pharmaceuticals, LLC (US) 2021-12-01 EP disclosed
US-20210231677-A1 TRACELESS IMMOBILIZATION OF ANALYTES FOR SAMDI MASS SPECTROMETRY NORTHWESTERN UNIVERSITY 2021-07-29 US disclosed
EP-3301109-B1 NOVEL DEPSIPEPTIDE AND USES THEREOF NOVOBIOTIC PHARMACEUTICALS LLC (US) 2021-05-26 EP disclosed
CN-112458158-A CYP2C9 gene segment containing 373C > T mutation, protein segment coded by same and application thereof 杨杰孚 2021-03-09 CN disclosed
WO-2020141734-A1 METHOD FOR PREPARING CHIRAL GAMMA-LACTAM COMPOUND AND METAL COMPLEX THEREFOR 기초과학연구원 2020-07-09 WO disclosed
WO-2019237019-A9 TRACELESS IMMOBILIZATION OF ANALYTES FOR SAMDI MASS SPECTROMETRY NORTHWESTERN UNIVERSITY (US) 2020-06-11 WO disclosed
WO-2012088156-A1 INHIBITORS OF CYTOCHROME P450 GILEAD SCIENCES, INC. (US) 2012-06-28 WO disclosed
WO-2009106882-A1 CYTOCHROME B5 KNOCKOUT ANIMAL MODELS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-09-03 WO disclosed
US-20080173808-A1 PROCESS AND DEVICE FOR RESPONSE NORMALIZED LIQUID CHROMATOGRAPHY NANOSPRAY IONIZATION MASS SPECTROMETRY (RNLC-NSI-MS) SCHERING CORPORATION 2008-07-24 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 (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-20230382893-A1 AMIDE DERIVATIVE HAVING ANTIVIRAL ACTIVITY ZC3HAV1, ZC3HAV1L, IFNAR1 ALOX5 2844/4885NR3C2 509/4885CYP2C19 2090/4885
US-12528790-B2 Amide derivative having antiviral activity IFNAR1, NSUN2, ZC3HAV1 ALOX5 4076/4885NR3C2 270/4885CYP2C19 2298/4885
US-12616685-B2 Concomitant administration of glucocorticoid receptor modulator relacorilant and CYP2C9 substrates CYP3A43, CYP2D6, CYP3A4 ALOX5 1947/4885NR3C2 26/4885CYP2C19 8/4885

“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.