SCHEMBL14031850

SCHEMBL14031850

CC(C)CCS(=O)(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.59
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MAPK1 P28482 1/20 0.50
MCL1 Q07820 1/20 0.48
CA12 O43570 5/20 0.47
CA2 P00918 5/20 0.47
CA9 Q16790 5/20 0.47
CA1 P00915 3/20 0.47
CA14 Q9ULX7 2/20 0.47
CA3 P07451 1/20 0.47
CA6 P23280 1/20 0.47
CYP2C19 P33261 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 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
SCHEMBL2592148 0.82 TAS2R14 (0.58) TAS2R14TSHRHSD17B10MAPK1MCL1
SCHEMBL1018690 0.80 CA12 (0.57) TAS2R14TSHRHSD17B10CA12CA2
SCHEMBL2448610 0.80 PSIP1 (0.56) HSD17B10MAPK1CYP2C19RAB9ASMN1; SMN2
SCHEMBL6048601 0.79 CA12 (0.52) TAS2R14TSHRHSD17B10CA12CA2
SCHEMBL1018318 0.78 CA2 (0.60) TAS2R14TSHRHSD17B10CA12CA2
SCHEMBL6825821 0.78 ALDH1A1 (0.64) CA12CA2CA9CA1CA3
SCHEMBL1403608 0.77 TSHR (0.61) TAS2R14TSHRHSD17B10CA12CA2
SCHEMBL1253808 0.77 TSHR (0.53) TAS2R14TSHRHSD17B10MCL1CA12
SCHEMBL1017290 0.77 TSHR (0.53) TAS2R14TSHRHSD17B10MCL1CA12
SCHEMBL1017292 0.77 TSHR (0.53) TAS2R14TSHRHSD17B10MCL1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242722-A1 Combination Therapy for Treating Cyclooxygenase-2 Mediated Diseases or Conditions in Patients at Risk of Thrombotic Cardiovascular Events DUFRESNE CLAUDE 2008-10-02 US 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-20080242722-A1 Combination Therapy for Treating Cyclooxygenase-2 Mediated Diseases or Conditions in Patients at Risk of Thrombotic Cardiovascular Events PTGS2, PTGS1, PTGES2 TAS2R14 2724/4885TSHR 3427/4885HSD17B10 886/4885

“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.