SCHEMBL23237651

SCHEMBL23237651

Cc1c(C(=O)NCC(C)(C)O)sc2nc[nH]c(=O)c12

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.65
MAPT P10636 5/20 0.64
LMNA P02545 2/20 0.64
BCAT2 O15382 9/20 0.61
HPGD P15428 2/20 0.60
BLM P54132 1/20 0.60
KDM4E B2RXH2 3/20 0.58
GAA P10253 1/20 0.58
HTT P42858 1/20 0.57
TP53 P04637 2/20 0.56
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55

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
SCHEMBL23237561 0.81 THRB (0.65) THRBMAPTLMNABCAT2HPGD
SCHEMBL23209156 0.81 BCAT2 (0.72) THRBMAPTLMNABCAT2HPGD
SCHEMBL23267317 0.80 BCAT2 (0.70) THRBMAPTLMNABCAT2HPGD
SCHEMBL263739 0.76 BCAT2 (1.00) THRBMAPTLMNABCAT2HPGD
SCHEMBL265344 0.76 HPGD (1.00) THRBMAPTLMNABCAT2HPGD
SCHEMBL19119395 0.75 BCAT2 (0.76) THRBMAPTLMNABCAT2HPGD
SCHEMBL27273135 0.75 BCAT2 (0.76) THRBMAPTLMNABCAT2HPGD
SCHEMBL263943 0.74 KDM4E (1.00) THRBMAPTLMNABCAT2HPGD
SCHEMBL15646362 0.71 THRB (0.50) THRBMAPTLMNABCAT2HPGD
SCHEMBL264414 0.69 BCAT2 (0.65) THRBMAPTLMNABCAT2HPGD

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-11136336-B2 Thienopyrimidones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-10-05 US disclosed
US-20210107918-A1 Novel Thienopyrimidones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-04-15 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 (2 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-20210107918-A1 Novel Thienopyrimidones TRPA1, TRPV1, TRPV2 THRB 1255/4885MAPT 287/4885LMNA 4265/4885
US-11136336-B2 Thienopyrimidones TRPA1, TRPV1, TRPV2 THRB 1678/4885MAPT 234/4885LMNA 4151/4885

“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.