SCHEMBL15414218

SCHEMBL15414218

COc1cc(Br)ccc1COS(C)(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.44
TSHR P16473 1/20 0.43
GLA P06280 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4C Q9H3R0 1/20 0.40
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 2/20 0.39
KMT2A Q03164 2/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL15413756 0.87 LMNA (0.49) TSHRGLASMN1; SMN2KDM4ETDP1
SCHEMBL15137279 0.84 PYCR1 (0.43) PYCR1TSHRGLASMN1; SMN2KDM4E
SCHEMBL8688214 0.82 APLNR (0.53) GAAKMT2AMEN1ALDH1A1MAPT
SCHEMBL14709473 0.82 EPHX2 (0.40)
SCHEMBL15414917 0.81 TRPV4 (0.54) KDM4CL3MBTL1
SCHEMBL14709471 0.80 SMN1; SMN2 (0.36) TSHRGLASMN1; SMN2KDM4ELMNA
SCHEMBL1015757 0.80 PYCR1 (0.40) PYCR1TSHRGLASMN1; SMN2KDM4C
SCHEMBL3476289 0.79 PYCR1 (0.51) PYCR1TSHRGLASMN1; SMN2KDM4C
SCHEMBL4816671 0.79 AKR1B1 (0.42) PYCR1KMT2AMEN1
SCHEMBL5673837 0.79 PYCR1 (0.41) PYCR1TSHRSMN1; SMN2KDM4EKMT2A

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
EP-2872490-B1 ANTIPROLIFERATIVE BENZO[B]AZEPIN-2-ONES HOFFMANN LA ROCHE (CH) 2018-02-07 EP disclosed
US-9611224-B2 Antiproliferative benzo [B] azepin-2-ones HOFFMANN-LA ROCHE INC. (US) 2017-04-04 US disclosed
US-20150353499-A1 ANTIPROLIFERATIVE BENZO [B] AZEPIN-2-ONES HOFFMAN-LA ROCHE INC. (US) 2015-12-10 US disclosed
EP-2872490-A1 ANTIPROLIFERATIVE BENZO [B]AZEPIN- 2 - ONES F. Hoffmann-La Roche AG (CH) 2015-05-20 EP disclosed
CN-104507913-A Antiproliferative benzo[b]azepin-2-ones HOFFMANN LA ROCHE 2015-04-08 CN disclosed
WO-2014009495-A1 ANTIPROLIFERATIVE BENZO [B] AZEPIN- 2 - ONES F. HOFFMANN-LA ROCHE AG (CH) 2014-01-16 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 (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-20150353499-A1 ANTIPROLIFERATIVE BENZO [B] AZEPIN-2-ONES CCNY, RB1, TOP2B PYCR1 1336/4885TSHR 1999/4885GLA 874/4885

“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.