SCHEMBL7978494

SCHEMBL7978494

Cc1ccc(OS(C)(=O)=O)cc1F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.45
ALPL P05186 2/20 0.41
ALPI P09923 1/20 0.41
CA2 P00918 4/20 0.40
CA5A P35218 2/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
TLR7 Q9NYK1 1/20 0.38
CA12 O43570 2/20 0.37
IDH1 O75874 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGS2 P35354 1/20 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
SCHEMBL7247499 0.85 ALDH1A1 (0.49) ALDH1A1KDM4EGAAHPGDALPL
SCHEMBL3738482 0.84 SOS1 (0.49) ALDH1A1KDM4EGAAHPGDALPL
SCHEMBL4127129 0.83 GAA (0.42) ALDH1A1KDM4EGAAMRGPRX4HDAC1
SCHEMBL6939170 0.82 ALDH1A1 (0.53) ALDH1A1KDM4EGAAHPGDALPL
SCHEMBL17672461 0.79 CA2 (0.47) ALDH1A1KDM4EGAAHPGDALPL
SCHEMBL17672901 0.79 ALDH1A1 (0.44) ALDH1A1KDM4EGAAHPGDALPL
SCHEMBL17356395 0.78 ALDH1A1 (0.42) ALDH1A1KDM4EGAAHPGDALPL
SCHEMBL9958562 0.78 PTGS2 (0.48) ALDH1A1GAASMN1; SMN2PTGS2
SCHEMBL17355702 0.78 HPGD (0.41) ALDH1A1KDM4EGAAHPGDALPL
SCHEMBL11583540 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EGAAHPGDALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF DOW AGROSCIENCES LLC (US) 2023-01-19 US disclosed
US-20150372349-A1 NON-AQUEOUS ELECTROLYTE AND ELECTRICITY STORAGE DEVICE UBE INDUSTRIES, LTD. (JP) 2015-12-24 US disclosed
WO-2001077116-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-10-18 WO 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-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF PDXK, DPYD, DDT ALDH1A1 123/4885KDM4E 1143/4885GAA 1663/4885
US-20150372349-A1 NON-AQUEOUS ELECTROLYTE AND ELECTRICITY STORAGE DEVICE HCN2, SCO2, HCN1 ALDH1A1 1059/4885KDM4E 1067/4885GAA 3610/4885

“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.