SCHEMBL1003328

SCHEMBL1003328

CS(=O)(=O)c1ccc2c(c1)C(O)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
IDO1 P14902 2/20 0.46
TDO2 P48775 2/20 0.46
PNMT P11086 5/20 0.44
KDM1A O60341 1/20 0.43
HTR6 P50406 1/20 0.39
CHRM4 P08173 2/20 0.38
HTR7 P34969 2/20 0.38
DRD2 P14416 1/20 0.38
ENPP2 Q13822 1/20 0.37
DRD3 P35462 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
PTGS2 P35354 1/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 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
SCHEMBL29649410 0.90 HTR6 (0.46) CYP3A4IDO1TDO2PNMTKDM1A
SCHEMBL7916013 0.85 CA1 (0.47) CYP3A4IDO1TDO2HTR6CHRM4
SCHEMBL27827582 0.80 KDM1A (0.50) CYP3A4IDO1TDO2PNMTKDM1A
SCHEMBL13073826 0.80 CYP3A4 (0.42) CYP3A4IDO1TDO2PNMTKDM1A
SCHEMBL13698772 0.80 CYP3A4 (0.42) CYP3A4IDO1TDO2PNMTKDM1A
Hydrochloric Acid SCHEMBL1005342 0.79 KDM1A (0.49) CYP3A4IDO1TDO2PNMTKDM1A
SCHEMBL14388811 0.78 KDM1A (0.43) CYP3A4IDO1TDO2PNMTKDM1A
SCHEMBL29649401 0.78 HTR6 (0.55) CYP3A4IDO1TDO2PNMTHTR6
SCHEMBL12828186 0.77 PNMT (0.43) CYP3A4IDO1TDO2PNMTKDM1A
SCHEMBL13698768 0.77 KDM1A (0.42) CYP3A4IDO1TDO2PNMTKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131034-A1 DERIVATIVES OF AMINOINDANES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI (FR) 2013-05-23 US disclosed
EP-2542524-A1 DERIVATIVES OF AMINOINDANES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI (FR) 2013-01-09 EP disclosed
EP-2368876-A1 Derivatives of aminoindanes, their preparation and their application in therapeutics SANOFI (FR) 2011-09-28 EP disclosed
WO-2011107474-A1 DERIVATIVES OF AMINOINDANES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI-AVENTIS (FR) 2011-09-09 WO disclosed
US-20110039892-A1 IMINOPYRIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-17 US disclosed
EP-2269989-A1 IMINOPYRIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-01-05 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 (2 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-20130131034-A1 DERIVATIVES OF AMINOINDANES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS ANXA2, ANXA3, ADM2 CYP3A4 521/4885IDO1 34/4885TDO2 126/4885
US-20110039892-A1 IMINOPYRIDINE DERIVATIVE AND USE THEREOF ADRA1D, ADRB1, ADRB2 CYP3A4 1463/4885IDO1 62/4885TDO2 2950/4885

“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.