SCHEMBL2076979

SCHEMBL2076979

Cc1ncsc1CCOS(C)(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 2/20 0.51
MEN1 O00255 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
CYP4F2 P78329 3/20 0.44
CYP4A11 Q02928 3/20 0.44
HPGD P15428 4/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 2/20 0.36
USP2 O75604 1/20 0.36
MMP9 P14780 1/20 0.36
TSHR P16473 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KAT2B Q92831 1/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL9490657 0.85 ALDH1A1 (0.50) ALDH1A1KMT2AKDM4ELMNAMEN1
SCHEMBL26696056 0.83 ALDH1A1 (0.46) ALDH1A1KMT2AKDM4ELMNAMEN1
SCHEMBL344984 0.79 ALDH1A1 (0.44) ALDH1A1KMT2AKDM4ELMNAMEN1
Isopropyl Alcohol SCHEMBL9451378 0.78 ALDH1A1 (0.43) ALDH1A1KMT2AKDM4ELMNAMEN1
SCHEMBL260096 0.78 ALDH1A1 (0.53) ALDH1A1KMT2AKDM4ELMNAMEN1
SCHEMBL741187 0.78 ALDH1A1 (0.34) ALDH1A1KMT2AKDM4ELMNAMEN1
SCHEMBL1877529 0.77 ALDH1A1 (0.56) ALDH1A1KMT2AKDM4ELMNAMEN1
SCHEMBL6259547 0.77 ALDH1A1 (0.60) ALDH1A1KMT2AKDM4ELMNAMEN1
SCHEMBL194034 0.75 ALDH1A1 (0.54) ALDH1A1KMT2AKDM4ELMNAMEN1
SCHEMBL14538082 0.75 ALDH1A1 (0.58) ALDH1A1KMT2AKDM4ELMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1833824-B1 3-CYCLOALKYLCARBONYL INDOLES AS CANNABINOID RECEPTOR LIGANDS ABBVIE INC (US) 2016-08-03 EP disclosed
US-8071650-B2 Vanilloid receptor modulators; analgesic, antiinflammatory and antiulcer effects; such as 1-(1H-indol-5-ylmethyl)-3-phenethylthiourea PACIFIC CORPORATION (KR) 2011-12-06 US disclosed
US-20110212920-A1 N-Substituted Benzene Sulfonamides NEITZEL MARTIN 2011-09-01 US disclosed
US-7939657-B2 N-substituted benzene sulfonamides ELAN PHARMACEUTICALS, INC. (US) 2011-05-10 US disclosed
US-20110065685-A1 NOVEL INDOLES ARE CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2011-03-17 US disclosed
US-7750039-B2 Indoles are cannabinoid receptor ligands ABBOTT LABORATORIES (US) 2010-07-06 US disclosed
US-7560481-B2 {1-[(1-methylpiperidin-2-yl)methyl]-1H-indol-3-yl}(2,2,3,3-tetramethylcyclopropyl)methanone toluenesufonic acid salt; selectively target cannaboid B2 receptors; analgesics for both nociceptive and neuropathic pain; side effect reduction; immunology modulators; antiinflammatory agents; neuroprotectants ABBOTT LABORATORIES (US) 2009-07-14 US disclosed
US-20090149501-A1 NOVEL INDOLES ARE CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-06-11 US disclosed
US-20080064687-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same SUH YOUNG G 2008-03-13 US disclosed
EP-1833824-A1 3-CYCLOALKYLCARBONYL INDOLES AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2007-09-19 EP disclosed
WO-2006069196-A1 3-CYCLOALKYLCARBONYL INDOLES AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2006-06-29 WO disclosed
EP-1230224-B1 SUBSTITUTED 5-BENZYL-2,4-DIAMINOPYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2004-12-29 EP disclosed
US-6821980-B1 Substituted 5-benzyl-2,4-diaminopyrimidines BASILEA PHARMACEUTICA AG (CH) 2004-11-23 US disclosed
EP-1303483-A4 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORP (KR) 2004-11-03 EP disclosed
US-20030153596-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same PACIFIC CORPORATION (KR) 2003-08-14 US disclosed
EP-1303483-A1 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2003-04-23 EP disclosed
WO-2002016318-A1 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2002-02-28 WO disclosed
US-5811439-A ANTIDIABETIC AGENTS; SIDE EFFECT REDUCTION; ANTILEPEMIC AGENTS SENGA PHARMACEUTICAL LABORATORY INC. (JP) 1998-09-22 US disclosed
CN-1167111-A Thiazolidinedione derivatives, method for preparing derivatives and pharmaceutical compositions containing same SENGA PHARMACEUTICAL LAB INC (JP) 1997-12-10 CN disclosed
EP-0780389-A1 Thiazolidinedione derivatives, process for their preparation and pharmaceutical compositions containing them TOBISHI PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 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 (5 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-20090149501-A1 NOVEL INDOLES ARE CANNABINOID RECEPTOR LIGANDS CNR2, CNR1, OPRL1 ALDH1A1 1568/4885KMT2A 3374/4885KDM4E 2579/4885
US-20030153596-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same TAS2R40, TAS1R2, TAS2R45 ALDH1A1 2306/4885KMT2A 2593/4885KDM4E 4454/4885
US-20080064687-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same TRPV1, TRPA1, TAS2R5 ALDH1A1 2182/4885KMT2A 4297/4885KDM4E 4511/4885
US-20110065685-A1 NOVEL INDOLES ARE CANNABINOID RECEPTOR LIGANDS CNR2, CNR1, OPRL1 ALDH1A1 1568/4885KMT2A 3374/4885KDM4E 2579/4885
US-20110212920-A1 N-Substituted Benzene Sulfonamides PSEN1, PSEN2, BACE1 ALDH1A1 897/4885KMT2A 2616/4885KDM4E 2539/4885

“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.