SCHEMBL21272191

SCHEMBL21272191

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC(F)(F)F)cc1C(=O)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
AAK1 Q2M2I8 1/20 0.42
IGF2BP2 Q9Y6M1 1/20 0.40
CNR2 P34972 1/20 0.40
KCNK2 O95069 1/20 0.39
KCNK10 P57789 1/20 0.39
EGFR P00533 1/20 0.39
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CA2 P00918 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
CTSD P07339 1/20 0.36
BRD4 O60885 1/20 0.36
SCN9A Q15858 1/20 0.35
USP30 Q70CQ3 1/20 0.35

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
SCHEMBL21272193 1.00 TRPA1 (0.43) TRPA1MEN1KMT2AAAK1IGF2BP2
SCHEMBL21272186 0.93 MAPT (0.47) TRPA1MEN1KMT2AAAK1IGF2BP2
SCHEMBL21272185 0.93 MAPT (0.47) TRPA1MEN1KMT2AAAK1IGF2BP2
SCHEMBL21326511 0.89 IGF2BP2 (0.40) TRPA1AAK1IGF2BP2CNR2KCNK2
SCHEMBL21272258 0.82 MAPT (0.47) MEN1KMT2ACTSSCTSKALDH1A1
SCHEMBL21272261 0.82 MAPT (0.47) MEN1KMT2ACTSSCTSKALDH1A1
SCHEMBL31366490 0.81 KDM4E (0.49) MEN1KMT2AAAK1EGFRCTSS
SCHEMBL21326613 0.81 IGF2BP2 (0.39) MEN1KMT2AAAK1IGF2BP2CNR2
SCHEMBL19857712 0.78 MAPT (0.53) IGF2BP2KCNK2KCNK10ALDH1A1MAPT
SCHEMBL21326612 0.76 IGF2BP2 (0.39) IGF2BP2CNR2KCNK2KCNK10MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021448-B2 1,3-dihydro-1,4-benzodiazepine-2-thiones for the treatment of CNS related diseases HOFFMANN-LA ROCHE INC. (US) 2021-06-01 US disclosed
US-11021448-B2 1,3-dihydro-1,4-benzodiazepine-2-thiones for the treatment of CNS related diseases HOFFMANN-LA ROCHE INC. (US) 2021-06-01 US disclosed
US-20190256478-A1 1,3-DIHYDRO-1,4-BENZODIAZEPINE-2-THIONES FOR THE TREATMENT OF CNS RELATED DISEASES HOFFMANN-LA ROCHE INC. (US) 2019-08-22 US disclosed
US-20190256478-A1 1,3-DIHYDRO-1,4-BENZODIAZEPINE-2-THIONES FOR THE TREATMENT OF CNS RELATED DISEASES HOFFMANN-LA ROCHE INC. (US) 2019-08-22 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-11021448-B2 1,3-dihydro-1,4-benzodiazepine-2-thiones for the treatment of CNS related diseases CHRM1, CHRM2, CHRM4 TRPA1 137/4885MEN1 3220/4885KMT2A 927/4885
US-20190256478-A1 1,3-DIHYDRO-1,4-BENZODIAZEPINE-2-THIONES FOR THE TREATMENT OF CNS RELATED DISEASES CHRM1, CHRM2, CHRM4 TRPA1 137/4885MEN1 3220/4885KMT2A 927/4885

“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.