SCHEMBL4123823

SCHEMBL4123823

Cc1c([S+]([O-])c2ccc3ccccc3c2C)ccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 5/20 0.54
▸ TSHR P16473 4/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ HSD17B10 Q99714 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ HPGD P15428 3/20 0.44
▸ HIF1A Q16665 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ HPRT1 P00492 1/20 0.41
▸ CYP1B1 Q16678 1/20 0.38
▸ NCEH1 Q6PIU2 1/20 0.38
▸ HNF4A P41235 1/20 0.37
▸ MAPT P10636 1/20 0.35

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
SCHEMBL2163499 0.73 ALDH1A1 (0.46) CYP2A6TSHRCYP1A2HSD17B10ALDH1A1
SCHEMBL11908430 0.72 CYP2A6 (0.46) CYP2A6TSHRCYP1A2HSD17B10ALDH1A1
SCHEMBL26611714 0.71 CYP2A6 (0.60) CYP2A6TSHRCYP1A2HSD17B10ALDH1A1
SCHEMBL3678185 0.71 HPRT1 (0.58) CYP2A6TSHRCYP1A2HSD17B10ALDH1A1
SCHEMBL23573915 0.71 CYP2A6 (0.54) CYP2A6TSHRCYP1A2HSD17B10ALDH1A1
SCHEMBL49861 0.70 CYP2A6 (1.00) CYP2A6TSHRCYP1A2HSD17B10ALDH1A1
SCHEMBL28814927 0.70 CYP2A6 (1.00) CYP2A6TSHRCYP1A2HSD17B10ALDH1A1
SCHEMBL29736830 0.70 CYP2A6 (1.00) CYP2A6TSHRCYP1A2HSD17B10ALDH1A1
SCHEMBL2810486 0.69 CYP2A6 (0.95) CYP2A6TSHRCYP1A2HSD17B10ALDH1A1
SCHEMBL9614419 0.69 CYP2A6 (0.95) CYP2A6TSHRCYP1A2HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163723-A1 METHOD FOR PRODUCING SULFONIUM FLUORINATED ALKYLFLUOROPHOSPHATE SAN-APRO LIMITED (JP) 2009-06-25 — — US disclosed
EP-1953139-A1 METHOD FOR PRODUCING FLUORINATED SULFONIUM ALKYLFLUOROPHOSPHATE San-Apro Ltd. (JP) 2008-08-06 — — EP 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-20090163723-A1 METHOD FOR PRODUCING SULFONIUM FLUORINATED ALKYLFLUOROPHOSPHATE ARSA, SCO2, DOHH CYP2A6 563/4885TSHR 158/4885CYP1A2 583/4885

“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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