SCHEMBL18593252

SCHEMBL18593252

COC(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCS2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.64
ALDH1A1 P00352 5/20 0.64
HSD17B10 Q99714 3/20 0.64
CASP1 P29466 2/20 0.64
ALOX15 P16050 1/20 0.64
CASP7 P55210 1/20 0.64
POLB P06746 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GFER P55789 1/20 0.41
NPSR1 Q6W5P4 3/20 0.41
UCHL1 P09936 1/20 0.40
USP30 Q70CQ3 1/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL21226552 0.81 HDAC1 (0.43) KDM4EALDH1A1HSD17B10CASP1ALOX15
SCHEMBL29940282 0.79 HDAC1 (0.53) KDM4EALDH1A1HSD17B10CASP1ALOX15
SCHEMBL3571209 0.79 HDAC1 (0.53) KDM4EALDH1A1HSD17B10CASP1ALOX15
SCHEMBL8101848 0.78 KDM4E (1.00) KDM4EALDH1A1HSD17B10CASP1ALOX15
SCHEMBL18593249 0.78 NOTUM (0.64) KDM4EPOLBSMN1; SMN2HDAC1HDAC6
SCHEMBL22050064 0.78 HDAC1 (0.57) KDM4EALDH1A1HSD17B10CASP1ALOX15
SCHEMBL29913803 0.78 NOTUM (0.39) KDM4EALDH1A1HSD17B10CASP1ALOX15
SCHEMBL3565263 0.77 HDAC6 (0.51) KDM4EALDH1A1HSD17B10CASP1ALOX15
SCHEMBL30657943 0.77 KDM4E (0.49) KDM4EALDH1A1HSD17B10CASP1ALOX15
SCHEMBL26653897 0.77 KDM4E (0.49) KDM4EALDH1A1HSD17B10CASP1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139439-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS VALO HEALTH, INC. 2021-05-13 US disclosed
US-10829460-B2 [6,6] fused bicyclic HDAC8 inhibitors VALO EARLY DISCOVERY, INC. (US) 2020-11-10 US disclosed
US-20190308946-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS VALO HEALTH, INC. 2019-10-10 US disclosed
US-10370343-B2 [6,6] Fused bicyclic HDAC8 inhibitors FORMA THERAPEUTICS, INC. (US) 2019-08-06 US 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 (6 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 KDM4E 192/4885ALDH1A1 1338/4885HSD17B10 1057/4885
US-20210139439-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 KDM4E 192/4885ALDH1A1 1338/4885HSD17B10 1057/4885
US-10370343-B2 [6,6] Fused bicyclic HDAC8 inhibitors HDAC8, HDAC3, HDAC2 KDM4E 192/4885ALDH1A1 1338/4885HSD17B10 1057/4885
US-20190308946-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 KDM4E 192/4885ALDH1A1 1338/4885HSD17B10 1057/4885
US-10829460-B2 [6,6] fused bicyclic HDAC8 inhibitors HDAC8, HDAC1, HDAC2 KDM4E 215/4885ALDH1A1 1573/4885HSD17B10 496/4885
US-10029995-B2 [6,6] fused bicyclic HDAC8 inhibitors HDAC8, HDAC3, HDAC2 KDM4E 192/4885ALDH1A1 1338/4885HSD17B10 1057/4885

“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.