SCHEMBL2891256

SCHEMBL2891256

COc1cc2c(cc1N(C)S(C)(=O)=O)OC(C)(C)[C@H](O)[C@H]2OC(=O)NCCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KCNA5 P22460 9/20 0.41
HSD17B10 Q99714 1/20 0.40
KCNE1 P15382 1/20 0.40
KCNQ1 P51787 1/20 0.40
HTT P42858 2/20 0.40
KCNA3 P22001 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37

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
SCHEMBL2891249 0.91 KCNA3 (0.40) ALDH1A1KCNA5HTTKCNA3NPC1
SCHEMBL2883991 0.86 KCNA5 (0.42) ALDH1A1KCNA5HTTKCNA3NPC1
SCHEMBL2889224 0.84 KCNA5 (0.43) ALDH1A1KCNA5KCNE1KCNQ1NPC1
SCHEMBL2883829 0.84 KCNA5 (0.44) ALDH1A1KCNA5KCNE1KCNQ1HTT
SCHEMBL2883832 0.84 KCNA5 (0.44) ALDH1A1KCNA5KCNE1KCNQ1HTT
SCHEMBL2877931 0.83 NPC1 (0.41) ALDH1A1KCNA5HTTKCNA3NPC1
SCHEMBL2891901 0.83 NPC1 (0.41) ALDH1A1KCNA5HTTKCNA3NPC1
SCHEMBL2875594 0.82 KCNA5 (0.42) ALDH1A1KCNA5HTTKCNA3NPC1
SCHEMBL2891258 0.81 KCNE1 (0.39) KCNA5KCNE1KCNQ1
SCHEMBL2887604 0.80 NPC1 (0.52) ALDH1A1KCNA5KCNA3NPC1RAB9A

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-7781483-B2 Benzopyran compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-24 US disclosed
US-20070299130-A1 Benzopyran Compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-12-27 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-20070299130-A1 Benzopyran Compound NR0B1, CYP2B6, RYR2 ALDH1A1 2971/4885KCNA5 69/4885HSD17B10 1511/4885

“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.