SCHEMBL3600328

SCHEMBL3600328

O=Cc1cccc(S(=O)(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
CYP3A4 P08684 1/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 3/20 0.48
LMNA P02545 2/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 3/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 2/20 0.46
HSD17B10 Q99714 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL6853554 0.87 CA12 (0.49) ALDH1A1HTTLMNAKMT2AGAA
SCHEMBL31604493 0.87 ALDH1A1 (0.50) ALDH1A1HTTLMNAKMT2AMEN1
SCHEMBL6853269 0.87 ALDH1A1 (0.50) ALDH1A1HTTLMNAKMT2AMEN1
SCHEMBL2538638 0.85 HTR6 (0.56) ALDH1A1LMNAMAPTCA12CA1
SCHEMBL3006195 0.83 ALDH1A1 (0.73) ALDH1A1CYP3A4MAPK1HTTLMNA
SCHEMBL3787504 0.83 HSD11B1 (0.51) ALDH1A1CYP3A4MAPK1HTTLMNA
SCHEMBL2536086 0.83 GAA (0.55) ALDH1A1HTTLMNAKMT2AMEN1
SCHEMBL3971707 0.83 HTR2A (0.50) LMNACA12CA1CA2CA9
SCHEMBL3152825 0.83 ALDH1A1 (0.53) ALDH1A1CYP3A4HTTLMNAKMT2A
SCHEMBL29571855 0.83 HTR2A (0.50) LMNACA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2937341-A1 4-(BENZYL)-PIPERAZINE-1-CARBOXYLIC ACID PHENYLAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE (FAAH) FOR THE TREATMENT OF ANXIETY, PAIN AND OTHER CONDITIONS Janssen Pharmaceutica N.V. (BE) 2015-10-28 EP disclosed
US-9169224-B2 Piperazinyl and piperidinyl ureas as modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA NV (BE) 2015-10-27 US disclosed
EP-1836179-B1 PIPERIDINE- AND PIPERAZINE-1-CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE (FAAH) FOR THE TREATMENT OF ANXIETY, PAIN AND OTHER CONDITIONS JANSSEN PHARMACEUTICA NV (BE) 2015-05-06 EP disclosed
US-20130331396-A1 PIPERAZINYL AND PIPERIDINYL UREAS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (US) 2013-12-12 US disclosed
US-8530476-B2 Piperazinyl and piperidinyl ureas as modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-09-10 US disclosed
EP-1637527-B1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL (JP) 2013-04-17 EP disclosed
CN-101146786-B Piperazinyl and piperidinyl ureas as modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA NV 2013-03-27 CN disclosed
US-20100240743-A1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-23 US disclosed
US-20100004261-A1 PIPERAZINYL AND PIPERIDINYL UREAS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-01-07 US disclosed
US-7598249-B2 4-(3,4-dibromo-benzyl)-piperazine-1-carboxylic acid pyridin-3-ylamide; fatty acid amide hydrolase (FAAH) activity; anxiety, pain, inflammation, sleep disorders, eating disorders, or movement disorders such as multiple sclerosis JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-06 US disclosed
US-7507841-B2 Carbamoylamino-substituted 2,3-dihydro-benzofurans, indoles and benzothiophenes, e.g., (+)-N-((3R)-3-(4-isopropylphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl)-3,3-dimethylbutanamide; cerebrovascular disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-24 US disclosed
US-20090023800-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-01-22 US disclosed
US-7465815-B2 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-16 US disclosed
CN-101146786-A Piperazinyl and piperidinyl ureas as modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA NV (BE) 2008-03-19 CN disclosed
US-20080021087-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-01-24 US disclosed
EP-1836179-A1 PIPERAZINYL AND PIPERIDINYL UREAS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-26 EP disclosed
US-20070099990-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 US disclosed
US-20060173184-A1 Piperazinyl and piperidinyl ureas as modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-03 US disclosed
WO-2006074025-A1 PIPERAZINYL AND PIPERIDINYL UREAS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-13 WO disclosed
EP-1637527-A1 CANNABINOID RECEPTOR MODULATOR Takeda Pharmaceutical Company Limited (JP) 2006-03-22 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 (7 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-20130331396-A1 PIPERAZINYL AND PIPERIDINYL UREAS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, USP47 ALDH1A1 1437/4885CYP3A4 1842/4885MAPK1 4098/4885
US-20100240743-A1 CANNABINOID RECEPTOR MODULATOR CNR1, CNR2, GPR18 ALDH1A1 1463/4885CYP3A4 375/4885MAPK1 1115/4885
US-20060173184-A1 Piperazinyl and piperidinyl ureas as modulators of fatty acid amide hydrolase FAAH, FAAH2, USP47 ALDH1A1 1437/4885CYP3A4 1842/4885MAPK1 4098/4885
US-20100004261-A1 PIPERAZINYL AND PIPERIDINYL UREAS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, USP47 ALDH1A1 1437/4885CYP3A4 1842/4885MAPK1 4098/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 ALDH1A1 1463/4885CYP3A4 375/4885MAPK1 1115/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 ALDH1A1 1463/4885CYP3A4 375/4885MAPK1 1115/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 ALDH1A1 1463/4885CYP3A4 375/4885MAPK1 1115/4885

“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.