SCHEMBL96672

SCHEMBL96672

CSc1ccc(CO)c(SC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3G Q9HC16 1/20 0.39
MCL1 Q07820 1/20 0.36
AKR1C3 P42330 3/20 0.33
AKR1C2 P52895 3/20 0.33
SLC6A4 P31645 3/20 0.33
NOX1 Q9Y5S8 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HTT P42858 1/20 0.33
NQO2 P16083 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
HTR3E A5X5Y0 2/20 0.32
HTR3B O95264 2/20 0.32
HTR1A P08908 2/20 0.32
HTR1D P28221 2/20 0.32
HTR1B P28222 2/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR1E P28566 2/20 0.32

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
SCHEMBL5179807 0.84 MCL1 (0.34) MCL1AKR1C3AKR1C2SLC6A4NOX1
SCHEMBL8770897 0.83 MCL1 (0.38) MCL1AKR1C3AKR1C2SLC6A4NOX1
SCHEMBL3031656 0.80 NQO2 (0.36) MCL1SLC6A4SLC6A2SLC6A3HTT
SCHEMBL7497821 0.79 SLC6A4 (0.33) MCL1SLC6A4NOX1SLC6A2SLC6A3
SCHEMBL22592566 0.79 TYR (0.40) APOBEC3GHTTKMT2AMEN1
SCHEMBL96671 0.79 MCL1 (0.36) MCL1AKR1C3AKR1C2SLC6A4NOX1
SCHEMBL5181223 0.79 SLC6A4 (0.33) MCL1SLC6A4NOX1SLC6A2SLC6A3
SCHEMBL5181227 0.79 IDO1 (0.33) MCL1SLC6A4NOX1SLC6A2SLC6A3
SCHEMBL8773218 0.79 MAPT (0.37) MCL1AKR1C3AKR1C2NOX1HTT
SCHEMBL3473748 0.78 SLC6A4 (0.43) APOBEC3GSLC6A4SLC6A2SLC6A3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
EP-1057808-B1 Sulfur-containing unsaturated carboxylate compound and its use MITSUI CHEMICALS INC (JP) 2007-03-14 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed
US-6458908-B1 A PROCESS FOR PREPARING A SULFUR-CONTAINING UNSATURATED CARBOXYLATE COMPOUND AS CLAIMED IN CLAIM 1 COMPRISING REACTING A SULFUR-CONTAINING DERIVATIVE FOR OPTICAL POLYMERS MITSUI CHEMICALS, INC. (JP) 2002-10-01 US disclosed
EP-1057808-A2 Sulfur-containing unsaturated carboxylate compound and its use Mitsui Chemicals, Inc. (JP) 2000-12-06 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB APOBEC3G 4795/4885MCL1 992/4885AKR1C3 464/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 APOBEC3G 4836/4885MCL1 3284/4885AKR1C3 582/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 APOBEC3G 4836/4885MCL1 3284/4885AKR1C3 582/4885

“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.