SCHEMBL12646350

SCHEMBL12646350

O=NCS(=O)(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSIP1 O75475 1/20 0.58
▸ POLB P06746 1/20 0.48
▸ DUSP3 P51452 1/20 0.48
▸ PTPN5 P54829 1/20 0.48
▸ PTPN11 Q06124 1/20 0.48
▸ HTR6 P50406 1/20 0.48
▸ HSD11B1 P28845 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA3 P07451 1/20 0.44
▸ CA4 P22748 1/20 0.44
▸ CA6 P23280 1/20 0.44
▸ CA5A P35218 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ PLA2G7 Q13093 1/20 0.44
▸ CA9 Q16790 1/20 0.44

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
SCHEMBL10292967 0.81 PSIP1 (0.54) PSIP1POLBDUSP3PTPN5PTPN11
SCHEMBL28021898 0.78 PSIP1 (0.56) PSIP1POLBDUSP3PTPN5PTPN11
SCHEMBL1952786 0.78 PSIP1 (0.50) PSIP1POLBDUSP3PTPN5PTPN11
SCHEMBL14445541 0.76 ALDH1A1 (0.59) ALDH1A1CA12CA1CA2CA3
SCHEMBL27742205 0.76 PSIP1 (0.48) PSIP1POLBDUSP3PTPN5PTPN11
SCHEMBL28177029 0.76 KEAP1 (0.62) PSIP1POLBDUSP3PTPN5PTPN11
SCHEMBL64761 0.76 PSIP1 (0.67) PSIP1POLBDUSP3PTPN5PTPN11
SCHEMBL777601 0.76 PSIP1 (0.67) PSIP1POLBHTR6HSD11B1ALDH1A1
SCHEMBL180713 0.74 PSIP1 (1.00) PSIP1POLBDUSP3PTPN5PTPN11
SCHEMBL3329009 0.74 PSIP1 (0.64) PSIP1POLBDUSP3PTPN5PTPN11

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-20110152563-A1 METHOD FOR MAKING TERPENE DERIVATIVES SALK INSTITUTE FOR BIOLOGICAL STUDIES 2011-06-23 — — 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-20110152563-A1 METHOD FOR MAKING TERPENE DERIVATIVES LSS, GGPS1, NR1H2 PSIP1 2517/4885POLB 2978/4885DUSP3 4219/4885

“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.

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