SCHEMBL20110959

SCHEMBL20110959

COc1c(C)c(C)c(C)c(C)c1/C(C)=C(\C)C(=O)S

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PSMG3 Q9BT73 1/20 0.33
IMPDH2 P12268 1/20 0.31
KCNA3 P22001 1/20 0.31
PTPN1 P18031 1/20 0.31

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
SCHEMBL20110957 0.75 CYP3A4 (0.32)
SCHEMBL12157050 0.70 SMN1; SMN2 (0.46) PSMG3
SCHEMBL12157049 0.68 PSMG3 (0.49) PSMG3
SCHEMBL15656087 0.66 ALDH1A1 (0.37)
SCHEMBL9752570 0.65 CYP3A4 (0.44) KCNA3PTPN1
SCHEMBL11121530 0.65 CYP3A4 (0.44) KCNA3PTPN1
SCHEMBL684711 0.64 KCNA3 (0.49) PSMG3IMPDH2KCNA3
SCHEMBL14299196 0.64 TSHR (0.32)
SCHEMBL1003356 0.63 POLB (0.41) PSMG3PTPN1
SCHEMBL10474965 0.63 PSMG3 (0.51) PSMG3PTPN1

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-20180118674-A1 HYDROGEN SULFIDE PRECURSORS AND CONJUGATES THEREOF GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC (US) 2018-05-03 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-20180118674-A1 HYDROGEN SULFIDE PRECURSORS AND CONJUGATES THEREOF CBS, TST, STS PSMG3 1826/4885IMPDH2 2522/4885KCNA3 4634/4885

“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.