SCHEMBL2016833

SCHEMBL2016833

CCC(C(=O)O)c1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 10/20 0.51
AKR1C2 P52895 10/20 0.51
KCNQ2 O43526 1/20 0.50
AKR1C1 Q04828 1/20 0.49
PTGS1 P23219 1/20 0.49
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
CNR2 P34972 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 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
SCHEMBL29421137 1.00 AKR1C3 (0.51) AKR1C3AKR1C2KCNQ2AKR1C1PTGS1
SCHEMBL15326108 0.85 KCNQ2 (0.49) KCNQ2HDAC4HDAC7HDAC5CNR2
SCHEMBL6366259 0.84 HDAC4 (0.49) HDAC4HDAC7HDAC5CNR2CES2
SCHEMBL6366254 0.84 HDAC4 (0.49) HDAC4HDAC7HDAC5CNR2CES2
SCHEMBL6366263 0.84 HDAC4 (0.49) HDAC4HDAC7HDAC5CNR2CES2
SCHEMBL30371733 0.83 CNR2 (0.50) KCNQ2HDAC4HDAC7HDAC5CNR2
SCHEMBL2864430 0.83 ROCK2 (0.49) HDAC4HDAC7HDAC5CNR2CES2
SCHEMBL27953660 0.83 MEN1 (0.48) HDAC4HDAC7HDAC5CNR2CES2
SCHEMBL28140050 0.82 KCNQ2 (0.47) AKR1C3AKR1C2KCNQ2HDAC4HDAC7
SCHEMBL30216514 0.82 AKR1C3 (0.49) AKR1C3AKR1C2AKR1C1PTGS1CES2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118541359-A Inhibitors of molluscum contagiosum infection and methods of use thereof 宾夕法尼亚大学董事会 2024-08-23 CN disclosed
EP-4408833-A1 INHIBITORS OF MOLLUSCUM CONTAGIOSUM INFECTION AND METHODS USING THE SAME The Trustees of The University of Pennsylvania (US) 2024-08-07 EP disclosed
WO-2023049919-A1 INHIBITORS OF MOLLUSCUM CONTAGIOSUM INFECTION AND METHODS USING THE SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2023-03-30 WO disclosed
CN-103748075-B 2,3-diphenyl valeronitrile derivant, its preparation method and as herbicide and the purposes of plant growth regulator 拜耳知识产权有限责任公司 2016-09-07 CN disclosed
US-9221773-B2 Benzamide derivatives THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2015-12-29 US disclosed
CN-102264734-B Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMA SPA 2015-06-17 CN disclosed
WO-2013152272-A1 ΑΖΑ-β-LACTAM COMPOUNDS AND METHODS OF USING THE SCRIPPS RESEARCH INSTITUTE (US) 2013-10-10 WO disclosed
US-20130045982-A1 BENZAMIDE DERIVATIVES THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2013-02-21 US disclosed
WO-2011079036-A1 BENZAMIDE DERIVATIVES THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2011-06-30 WO disclosed
US-7776922-B2 Substituted [(phenylethanoyl)amino]benzamides BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-17 US disclosed
US-20080171786-A1 e.g. 2-(1-Benzothien-2-yl)-5-[(2-phenylbutanoyl)amino]benzamide; interleukin-8 receptor antagonist; antiinflammatory agent, cardiovascular diseases; arteriosclerosis, coronary heart disease, dyslipidemias, myocardial infarction, stroke, restenosis, reperfusion injury, thrombosis, ischemia BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-17 US disclosed
EP-1814872-A1 SUBSTITUTED [(PHENYLETHANOYL)AMINO] BENZAMIDES AND THE USE THEREOF IN THE TREATMENT OF INFLAMMATORY AND CARDIO-VASCULAR DISEASES Bayer HealthCare AG (DE) 2007-08-08 EP disclosed
WO-2006053748-A1 SUBSTITUTED [(PHENYLETHANOYL)AMINO] BENZAMIDES AND THE USE THEREOF IN THE TREATMENT OF INFLAMMATORY AND CARDIO-VASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2006-05-26 WO disclosed
US-20050113397-A1 Imidazo[1,2-a]pyridine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-05-26 US disclosed
EP-1042275-A1 ANTICONVULSANT AND CENTRAL NERVOUS SYSTEM-ACTIVE BIS(FLUOROPHENYL)ALKYLAMIDES NPS PHARMACEUTICALS, INC. (US) 2000-10-11 EP disclosed
WO-1999029657-A1 ANTICONVULSANT AND CENTRAL NERVOUS SYSTEM-ACTIVE BIS(FLUOROPHENYL)ALKYLAMIDES NPS PHARMACEUTICALS, INC. (US) 1999-06-17 WO 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-20080171786-A1 e.g. 2-(1-Benzothien-2-yl)-5-[(2-phenylbutanoyl)amino]benzamide; interleukin-8 receptor antagonist; antiinflammatory agent, cardiovascular diseases; arteriosclerosis, coronary heart disease, dyslipidemias, myocardial infarction, stroke, restenosis, reperfusion injury, thrombosis, ischemia CXCL8, CASP8, TLR8 AKR1C3 2698/4885AKR1C2 1818/4885KCNQ2 2164/4885
US-20130045982-A1 BENZAMIDE DERIVATIVES BAD, BAK1, BRDT AKR1C3 3194/4885AKR1C2 2250/4885KCNQ2 3751/4885
US-20050113397-A1 Imidazo[1,2-a]pyridine derivative MANBA, MAN2B1, ERG28 AKR1C3 4377/4885AKR1C2 3730/4885KCNQ2 4134/4885

“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.