SCHEMBL777939

SCHEMBL777939

Cc1ccc(C(=O)S(C)(=O)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
CES2 O00748 3/20 0.54
CES1 P23141 3/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
KMT2A Q03164 3/20 0.48
PKM P14618 2/20 0.48
HTT P42858 2/20 0.48
ATM Q13315 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
GAA P10253 2/20 0.48
MEN1 O00255 2/20 0.48
HPGD P15428 1/20 0.48
NLRP1 Q9C000 1/20 0.48
NTSR1 P30989 1/20 0.48
SRD5A2 P31213 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
GSK3B P49841 1/20 0.45

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
SCHEMBL180685 0.83 ALDH1A1 (0.56) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL1412844 0.81 ALDH1A1 (0.54) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL1148875 0.81 ALDH1A1 (0.54) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL2113832 0.79 ALDH1A1 (0.52) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL21515907 0.79 CES2 (0.52) ALDH1A1CES2CES1LMNAHPGD
SCHEMBL2449458 0.79 ALDH1A1 (0.52) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL2221935 0.79 ALDH1A1 (0.52) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL4031038 0.78 CES1 (0.48) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL777046 0.77 ALDH1A1 (0.50) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL27962643 0.77 ALDH1A1 (0.53) ALDH1A1CES2CES1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7017809-A None JP disclosed
US-9343777-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-05-17 US disclosed
US-9252457-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 US disclosed
US-20120177988-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-07-12 US disclosed
US-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 US disclosed
WO-2010018156-A1 LIQUID PREPARATIONS OF PHENOLIC ACTIVE INGREDIENTS LANXESS DEUTSCHLAND GMBH (DE) 2010-02-18 WO disclosed
US-20090209605-A1 NEMATICIDAL COMPOSITIONS DEVGEN N.V. (BE) 2009-08-20 US disclosed
US-20080146445-A1 Nematicidal Compositions DEVGEN NV (BE) 2008-06-19 US disclosed
JP-H0717809-A INDUSTRIAL MILDEWPROOFING COMPOSITION SHINTO PAINT CO LTD 1995-01-20 JP disclosed
EP-0213892-B1 HERBICIDALLY ACTIVE ENOLS ROHM AND HAAS COMPANY (US) 1992-03-25 EP disclosed
EP-0213892-A2 Herbicidally active enols ROHM AND HAAS COMPANY (US) 1987-03-11 EP disclosed
JP-H00717809-A 0001-01-01 JP 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-20090209605-A1 NEMATICIDAL COMPOSITIONS ACHE, DNPH1, NANP ALDH1A1 4082/4885CES2 958/4885CES1 2860/4885
US-20080146445-A1 Nematicidal Compositions ACHE, DNPH1, NANP ALDH1A1 4082/4885CES2 958/4885CES1 2860/4885

“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.