SCHEMBL12201239

SCHEMBL12201239

Cc1sc2ccccc2[n+]1CCSS(=O)(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ MAPT P10636 11/20 0.55
▸ ALDH1A1 P00352 7/20 0.45
▸ POLB P06746 4/20 0.45
▸ HPGD P15428 3/20 0.45
▸ RAB9A P51151 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ PKM P14618 2/20 0.35
▸ CYP2C19 P33261 1/20 0.34
▸ APOBEC3A P31941 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ OPRK1 P41145 1/20 0.32

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
SCHEMBL12201215 0.81 CYP2D6 (0.60) HSD17B10CYP2D6TSHRMAPTALDH1A1
SCHEMBL12201143 0.79 CYP2D6 (0.63) HSD17B10CYP2D6TSHRMAPTALDH1A1
SCHEMBL3191322 0.79 HSD17B10 (0.59) HSD17B10CYP2D6TSHRMAPTALDH1A1
SCHEMBL12227568 0.78 CYP2D6 (0.57) HSD17B10CYP2D6TSHRMAPTALDH1A1
Water SCHEMBL1044054 0.78 HSD17B10 (0.58) HSD17B10CYP2D6TSHRMAPTALDH1A1
SCHEMBL6556048 0.78 HSD17B10 (0.58) HSD17B10CYP2D6TSHRMAPTALDH1A1
SCHEMBL61068 0.77 CYP2D6 (0.69) HSD17B10CYP2D6TSHRMAPTALDH1A1
Water SCHEMBL10952583 0.77 MAPT (0.57) HSD17B10CYP2D6TSHRMAPTALDH1A1
Bromide SCHEMBL3288555 0.76 CYP2D6 (0.67) HSD17B10CYP2D6TSHRMAPTALDH1A1
SCHEMBL9474211 0.75 MAPT (0.59) HSD17B10CYP2D6TSHRMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034125-B2 Dye composition comprising at least one colorless disulfide/thiol precursor, and dyeing process using the composition L'OREAL S.A. (FR) 2011-10-11 — — US disclosed
US-8034125-B2 Dye composition comprising at least one colorless disulfide/thiol precursor, and dyeing process using the composition L'OREAL S.A. (FR) 2011-10-11 — — US disclosed
US-20110016642-A1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION L'OREAL S.A. (FR) 2011-01-27 — — US disclosed
US-20110016642-A1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION L'OREAL S.A. (FR) 2011-01-27 — — 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-20110016642-A1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION KRT18, SQOR, TST HSD17B10 526/4885CYP2D6 782/4885TSHR 3345/4885

“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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