SCHEMBL2835313

SCHEMBL2835313

COc1cc(C)c(S(=O)(=O)[C@]2(CO)CCCN2)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 9/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.31
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
APP P05067 1/20 0.30
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL2835317 1.00 BDKRB1 (0.32) BDKRB1ALDH1A1GAAMAPTRAPGEF4
SCHEMBL3638395 0.79 BDKRB1 (0.32) BDKRB1ALDH1A1GAAAPPHPGD
SCHEMBL3635040 0.79 APP (0.31) APP
SCHEMBL3638242 0.78
SCHEMBL3638391 0.78 BDKRB1 (0.35) BDKRB1
SCHEMBL3632444 0.74 RAPGEF4 (0.35) ALDH1A1RAPGEF4PKMSMN1; SMN2FFAR4
SCHEMBL3635954 0.70 FFAR4 (0.32) BDKRB1GAAFFAR4APP
SCHEMBL2333346 0.68 ALDH1A1 (0.39) BDKRB1ALDH1A1RAPGEF4SMN1; SMN2FFAR4
SCHEMBL3441387 0.65 BDKRB1 (0.38) BDKRB1ALDH1A1GAAMAPTPKM
SCHEMBL2206181 0.64 BDKRB1 (0.38) BDKRB1ALDH1A1GAAMAPTPKM

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-8269000-B2 Substituted pyrimidine and triazine compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
US-20100173889-A1 Substituted Pyrimidine and Triazine Compounds GRUENENTHAL GMBH (DE) 2010-07-08 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-20100173889-A1 Substituted Pyrimidine and Triazine Compounds ADORA2B, CCNB1, TYMS BDKRB1 46/4885ALDH1A1 2375/4885GAA 3718/4885

“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.