SCHEMBL10180044

SCHEMBL10180044

CCCCc1cccc(S(C)(=O)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.47
LIPG Q9Y5X9 2/20 0.47
CA2 P00918 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
METAP2 P50579 1/20 0.45
XIAP P98170 1/20 0.44
CNR2 P34972 1/20 0.44
GRM2 Q14416 2/20 0.44
GRM3 Q14832 2/20 0.44
HTR6 P50406 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43
DRD2 P14416 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
SCHEMBL10180595 0.89 KAT6A (0.48) CA2METAP2CNR2GRM2GRM3
SCHEMBL27859841 0.87 HTR6 (0.57) LPLLIPGCA2SMN1; SMN2METAP2
SCHEMBL10181083 0.86 PSIP1 (0.48) LPLLIPGCA2SMN1; SMN2METAP2
SCHEMBL20178524 0.84 CA2 (0.64) LPLLIPGCA2SMN1; SMN2HTR6
SCHEMBL9445888 0.84 LPL (0.50) LPLLIPGCA2SMN1; SMN2METAP2
SCHEMBL5662465 0.84 TBXA2R (0.49) CA2SMN1; SMN2GRM2GRM3HTR6
SCHEMBL5429891 0.83 CYP4F2 (0.51) LPLLIPGCA2GRM2GRM3
SCHEMBL28463511 0.83 CA2 (0.49) LPLLIPGCA2SMN1; SMN2METAP2
SCHEMBL28032889 0.83 LPL (0.49) LPLLIPGCA2SMN1; SMN2METAP2
SCHEMBL10180036 0.83 HTR6 (0.66) LPLLIPGCA2SMN1; SMN2METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200407339-A1 PYRIDINONE- AND PYRIDAZINONE-BASED COMPOUNDS AND USES THEREOF TRI-INSTITUTIONAL THERAPEUTICS DISCOVERY INSTITUTE 2020-12-31 US disclosed
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

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-20200407339-A1 PYRIDINONE- AND PYRIDAZINONE-BASED COMPOUNDS AND USES THEREOF PTGER1, LOXL1, COL1A1 LPL 913/4885LIPG 127/4885CA2 2888/4885

“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.