SCHEMBL3470525

SCHEMBL3470525

COC(=O)c1ccc(Cl)c(S(=O)(=O)n2c(C)nc3ccccc32)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 7/20 0.57
ALDH1A1 P00352 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA3 P07451 2/20 0.53
CA4 P22748 2/20 0.53
CA6 P23280 2/20 0.53
CA5A P35218 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
CA13 Q8N1Q1 2/20 0.53
CA14 Q9ULX7 2/20 0.53
CA5B Q9Y2D0 2/20 0.53
PKM P14618 1/20 0.52
TSHR P16473 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL3470817 0.89 ALDH1A1 (0.58) ALDH3A1ALDH1A1CA12CA1CA2
SCHEMBL3473099 0.88 ALDH3A1 (0.59) ALDH3A1ALDH1A1CA12CA1CA2
SCHEMBL3472282 0.79 ALDH3A1 (0.62) ALDH3A1ALDH1A1CA12CA1CA2
SCHEMBL13077259 0.78 ALDH3A1 (0.57) ALDH3A1ALDH1A1CA12CA1CA2
SCHEMBL13032907 0.77 ALDH3A1 (0.60) ALDH3A1ALDH1A1CA12CA1CA2
SCHEMBL3470253 0.76 ALOX5 (0.65) ALDH3A1ALDH1A1L3MBTL1PKMTSHR
SCHEMBL13076785 0.73 ALDH3A1 (0.55) ALDH3A1ALDH1A1CA12CA1CA2
SCHEMBL13076783 0.73 ALDH3A1 (0.55) ALDH3A1ALDH1A1CA12CA1CA2
SCHEMBL9630225 0.71 CA1 (0.65) ALDH1A1CA12CA1CA2CA3
SCHEMBL15880442 0.70 ALDH1A1 (0.62) ALDH1A1L3MBTL1CA12CA1CA2

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-20100317706-A1 HNF4alpha MODULATORS AND METHODS OF USE BUMHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-12-16 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-20100317706-A1 HNF4alpha MODULATORS AND METHODS OF USE HNF4A, NCOA4, NR4A3 ALDH3A1 865/4885ALDH1A1 810/4885L3MBTL1 3955/4885

“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.