SCHEMBL18612779

SCHEMBL18612779

COC(=O)c1ccc2c(c1)N(Cc1ccc(C(F)(F)F)cc1)CCS2(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ TLR2 O60603 1/20 0.40
▸ TLR1 Q15399 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ EPAS1 Q99814 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ PRKAB2 O43741 1/20 0.39
▸ PRKAG1 P54619 1/20 0.39
▸ PRKAA2 P54646 1/20 0.39
▸ PRKAA1 Q13131 1/20 0.39
▸ PRKAG3 Q9UGI9 1/20 0.39
▸ PRKAG2 Q9UGJ0 1/20 0.39
▸ PRKAB1 Q9Y478 1/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.39
▸ RORC P51449 1/20 0.39

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
SCHEMBL18581592 0.88 HDAC1 (0.54) HDAC1HDAC6
SCHEMBL18593267 0.87 MAPT (0.45) HDAC1HDAC6SMN1; SMN2KDM4EGAA
SCHEMBL3964822 0.80 HDAC1 (0.55) HDAC1HDAC6
SCHEMBL18619528 0.80 CYP3A4 (0.48) SMN1; SMN2KDM4EGAATP53CYP3A4
SCHEMBL18612596 0.80 CPT2 (0.38) HDAC1HDAC6KDM4EGAAMRGPRX4
SCHEMBL28629242 0.79 CYP2C9 (0.50) HDAC1HDAC6SMN1; SMN2CNR1KDM4E
SCHEMBL18619540 0.79 MAPT (0.57) SMN1; SMN2KDM4EGAATP53
SCHEMBL28624625 0.77 GAA (0.47) HDAC1HDAC6SMN1; SMN2CNR1KDM4E
SCHEMBL18593255 0.77 CPT2 (0.40) HDAC1HDAC6KDM4EGAACYP3A4
SCHEMBL18581395 0.77 LMNA (0.47) HDAC1HDAC6TP53

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-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-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 (5 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 HDAC1 4/4885HDAC6 10/4885SMN1; SMN2 3209/4885
US-10370343-B2 [6,6] Fused bicyclic HDAC8 inhibitors HDAC8, HDAC3, HDAC2 HDAC1 4/4885HDAC6 10/4885SMN1; SMN2 3209/4885
US-20190308946-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 HDAC1 4/4885HDAC6 10/4885SMN1; SMN2 3209/4885
US-10829460-B2 [6,6] fused bicyclic HDAC8 inhibitors HDAC8, HDAC1, HDAC2 HDAC1 2/4885HDAC6 10/4885SMN1; SMN2 1525/4885
US-10029995-B2 [6,6] fused bicyclic HDAC8 inhibitors HDAC8, HDAC3, HDAC2 HDAC1 4/4885HDAC6 10/4885SMN1; SMN2 3209/4885

“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.

Send feedback