SCHEMBL10180595

SCHEMBL10180595

CCCc1cccc(S(C)(=O)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 1/20 0.48
HTR6 P50406 1/20 0.46
GRM2 Q14416 2/20 0.46
GRM3 Q14832 2/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
DRD2 P14416 4/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CA2 P00918 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
METAP2 P50579 1/20 0.42
KCNA5 P22460 1/20 0.42
CNR2 P34972 2/20 0.42
CNR1 P21554 1/20 0.41
NPC1 O15118 1/20 0.41
TNF P01375 1/20 0.41
RAB9A P51151 1/20 0.41
NOD1 Q9Y239 1/20 0.41

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
SCHEMBL10180044 0.89 LPL (0.47) HTR6GRM2GRM3DRD2ALDH1A1
SCHEMBL27876496 0.86 HTR6 (0.61) KAT6AHTR6ALDH1A1GAACA2
SCHEMBL10180981 0.85 PSIP1 (0.52) KAT6AHTR6ALDH1A1GAACA2
SCHEMBL5264775 0.85 HTR6 (0.54) HTR6GRM2GRM3DRD2ALDH1A1
SCHEMBL331256 0.85 KAT6A (0.48) KAT6AHTR6CA2METAP2CNR2
SCHEMBL8233359 0.84 ALDH1A1 (0.47) KAT6AGRM2GRM3DRD2ALDH1A1
SCHEMBL1738690 0.83 GRM2 (0.45) HTR6GRM2GRM3DRD2ALDH1A1
SCHEMBL13925829 0.83 CA2 (0.61) KAT6AHTR6CA2CNR2CNR1
SCHEMBL5232319 0.83 DRD2 (0.46) HTR6GRM2GRM3DRD2ALDH1A1
SCHEMBL3997064 0.83 GRM2 (0.48) HTR6GRM2GRM3DRD2ALDH1A1

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-20130244122-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME ONUKI MASAMICHI (JP) 2013-09-19 US disclosed
US-20120219866-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
EP-2475041-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE BATTERY COMPRISING SAME Mitsubishi Chemical Corporation (JP) 2012-07-11 EP disclosed
US-20080312229-A1 Organic Compounds NOVARTIS AG 2008-12-18 US disclosed
US-20080312229-A1 Organic Compounds NOVARTIS AG 2008-12-18 US disclosed
EP-1633748-B1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LTD (GB) 2008-03-05 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 (1 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-20080312229-A1 Organic Compounds DRD4, DRD1, SLC10A6 KAT6A 1945/4885HTR6 877/4885GRM2 2251/4885

“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.