SCHEMBL18593249

SCHEMBL18593249

CC(C)(C)OC(=O)N1CCSc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.64
BCHE P06276 1/20 0.55
KDM4E B2RXH2 1/20 0.53
KDM1A O60341 1/20 0.52
SHMT2 P34897 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 2/20 0.46
THRB P10828 1/20 0.46
POLB P06746 3/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
DRD4 P21917 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL1560091 0.85 BCHE (0.57) NOTUMBCHEKDM4EKDM1ASHMT2
SCHEMBL19690276 0.79 UCHL1 (0.46) NOTUMBCHEKDM1ASHMT2LMNA
SCHEMBL18593252 0.78 KDM4E (0.64) NOTUMKDM4ELMNAHPGDSMN1; SMN2
SCHEMBL29913803 0.77 NOTUM (0.39) NOTUMBCHEKDM4EKDM1ASHMT2
SCHEMBL15524285 0.77 NOTUM (0.73) NOTUMKDM4ESHMT2L3MBTL1LMNA
SCHEMBL499529 0.76 USP30 (0.49) NOTUMBCHEKDM4ETP53
SCHEMBL21450553 0.76 HDAC1 (0.43) NOTUMKDM4EKDM1ASHMT2HPGD
SCHEMBL21226552 0.76 HDAC1 (0.43) NOTUMKDM4ESHMT2GAAMAPT
SCHEMBL6224256 0.75 NOTUM (0.71) NOTUMBCHEKDM4ESHMT2L3MBTL1
SCHEMBL5848351 0.75 RYR2 (0.62) BCHE

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
CN-110114343-B Pyrazolopyrimidine compounds and methods of use thereof 豪夫迈·罗氏有限公司 2022-09-06 CN disclosed
US-10029995-B2 [6,6] fused bicyclic HDAC8 inhibitors FORMA THERAPEUTICS, INC. (US) 2018-07-24 US disclosed
US-10029995-B2 [6,6] fused bicyclic HDAC8 inhibitors FORMA THERAPEUTICS, INC. (US) 2018-07-24 US disclosed
US-20170066729-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS Valo Health, LLC 2017-03-09 US disclosed
US-20170066729-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS Valo Health, LLC 2017-03-09 US disclosed
WO-2017040963-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS FORMA THERAPEUTICS, INC. (US) 2017-03-09 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-20170066729-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 NOTUM 4006/4885BCHE 3696/4885KDM4E 192/4885
US-10029995-B2 [6,6] fused bicyclic HDAC8 inhibitors HDAC8, HDAC3, HDAC2 NOTUM 4006/4885BCHE 3696/4885KDM4E 192/4885

“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.