SCHEMBL12704944

SCHEMBL12704944

C[N+](C)(C)CS(=O)(=O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSIP1 O75475 1/20 0.62
▸ HSD11B1 P28845 5/20 0.48
▸ POLB P06746 1/20 0.47
▸ HTR6 P50406 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA3 P07451 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA6 P23280 1/20 0.42
▸ CA5A P35218 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ PLA2G7 Q13093 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA13 Q8N1Q1 1/20 0.42

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
SCHEMBL12704976 0.87 MMP2 (0.56) PSIP1CA12CA1CA2CA9
SCHEMBL12704978 0.83 PSIP1 (0.54) PSIP1HSD11B1POLBHTR6ALDH1A1
SCHEMBL22624870 0.77 PSIP1 (0.58) PSIP1HSD11B1POLBHTR6ALDH1A1
SCHEMBL180713 0.77 PSIP1 (1.00) PSIP1HSD11B1POLBHTR6ALDH1A1
Fluoride SCHEMBL9493182 0.75 PSIP1 (0.95) PSIP1HSD11B1POLBHTR6ALDH1A1
Ammonia Solution, Strong SCHEMBL6978426 0.75 PSIP1 (0.95) PSIP1HSD11B1POLBHTR6ALDH1A1
SCHEMBL491319 0.75 PSIP1 (0.61) PSIP1HSD11B1POLBHTR6ALDH1A1
SCHEMBL11335858 0.74 PSIP1 (0.60) PSIP1HSD11B1POLBHTR6ALDH1A1
Tetramethylammonium Ion SCHEMBL5422586 0.74 MMP2 (0.67) PSIP1HSD11B1POLBALDH1A1HSD17B10
SCHEMBL64761 0.74 PSIP1 (0.67) PSIP1HSD11B1POLBHTR6ALDH1A1

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-20110091808-A1 PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-21 — — 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-20110091808-A1 PHOTORESIST COMPOSITION ASIC1, ASIC3, SUN2 PSIP1 862/4885HSD11B1 4628/4885POLB 847/4885

“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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