SCHEMBL19260442

SCHEMBL19260442

COC(=O)C1(OCc2ccsc2Br)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.51
CYP3A4 P08684 4/20 0.32
MAPT P10636 4/20 0.32
TP53 P04637 3/20 0.32
CYP2C9 P11712 3/20 0.32
TSHR P16473 3/20 0.32
CYP2C19 P33261 3/20 0.32
TDP1 Q9NUW8 3/20 0.32
CYP2D6 P10635 2/20 0.32
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
ATM Q13315 1/20 0.30
CACNA1G O43497 1/20 0.30
CACNA1H O95180 1/20 0.30
CACNA1I Q9P0X4 1/20 0.30
KMT2A Q03164 2/20 0.30
FPR3 P25089 1/20 0.30
FPR2 P25090 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
SCHEMBL19273894 0.83 FFAR4 (0.53) FFAR4SLC6A4SLC6A3
SCHEMBL21612946 0.74 MAOB (0.41) MAPTSMN1; SMN2KMT2A
SCHEMBL19273895 0.71 SLC1A3 (0.47) CYP2C9CYP2C19TDP1LMNAKMT2A
SCHEMBL4033998 0.70 ALDH1A1 (0.44) CYP2C9TSHRCYP2C19CYP2D6LMNA
SCHEMBL16738504 0.69 FFAR4 (0.40) FFAR4CYP3A4MAPTTSHRCYP2C19
SCHEMBL8633497 0.69 ALDH1A1 (0.43) FFAR4CYP3A4MAPTCYP2C19LMNA
SCHEMBL2684136 0.69 KMT2A (0.41) MAPTTP53TSHRLMNASMN1; SMN2
SCHEMBL28709394 0.69 FFAR4 (0.42) FFAR4LMNASMN1; SMN2KMT2A
SCHEMBL26928457 0.68 CYP19A1 (0.44) CYP3A4CYP2C9TSHRCYP2C19CYP2D6
SCHEMBL30722359 0.68 AR (0.38) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548899-B2 Fused 1,4-oxazepines and related analogs as BET bromodomain inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2023-01-10 US disclosed
CN-109071562-B Fused 1, 4-oxazepine and related analogs as BET bromodomain inhibitors 密执安大学评议会 2022-03-22 CN disclosed
US-20210188870-A1 FUSED 1,4-OXAZEPINES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS UNIV MICHIGAN REGENTS (US) 2021-06-24 US disclosed
EP-3416969-B1 FUSED 1,4-OXAZEPINES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS UNIV MICHIGAN REGENTS (US) 2021-05-05 EP disclosed
EP-3416969-A1 FUSED 1,4-OXAZEPINES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS The Regents of The University of Michigan (US) 2018-12-26 EP disclosed
WO-2017142881-A1 FUSED 1,4-OXAZEPINES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-08-24 WO 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-20210188870-A1 FUSED 1,4-OXAZEPINES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 FFAR4 2676/4885CYP3A4 2692/4885MAPT 1314/4885
US-11548899-B2 Fused 1,4-oxazepines and related analogs as BET bromodomain inhibitors BRD4, BRD3, BRD2 FFAR4 2676/4885CYP3A4 2692/4885MAPT 1314/4885

“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.