SCHEMBL15528513

SCHEMBL15528513

COC(=O)c1ccc2c(c1)CCC(=O)N2Cc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.53
HDAC1 Q13547 5/20 0.53
HDAC8 Q9BY41 5/20 0.53
SRD5A1 P18405 1/20 0.43
SRD5A2 P31213 1/20 0.43
RORC P51449 2/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
KCNN4 O15554 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39
POLB P06746 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 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
SCHEMBL15529163 0.88 HDAC6 (0.55) HDAC6HDAC1HDAC8RORCMAPT
SCHEMBL15528755 0.86 HDAC6 (0.53) HDAC6HDAC1HDAC8RORCPOLB
SCHEMBL16553241 0.86 HDAC6 (0.50) HDAC6HDAC1HDAC8RORCPOLB
SCHEMBL15529266 0.84 HDAC6 (0.49) HDAC6HDAC1HDAC8SRD5A1SRD5A2
SCHEMBL15612853 0.83 HDAC1 (0.55) HDAC6HDAC1HDAC8
SCHEMBL3304979 0.83 HDAC6 (0.52) HDAC6HDAC1HDAC8RORCMAPT
SCHEMBL15601436 0.82 CES2 (0.45) HDAC6HDAC1HDAC8RORCMAPT
SCHEMBL15525683 0.82 SMN1; SMN2 (0.52) HDAC6HDAC1HDAC8RORCMAPT
SCHEMBL15529030 0.81 HDAC6 (0.65) HDAC6HDAC1HDAC8RORCMAPT
SCHEMBL15525685 0.81 ATAD2 (0.54) HDAC6HDAC1HDAC8RORCALDH1A1

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-9708268-B2 ROR modulators and their uses INNOV17 LLC (US) 2017-07-18 US disclosed
US-9708268-B2 ROR modulators and their uses INNOV17 LLC (US) 2017-07-18 US disclosed
US-20160130231-A1 ROR MODULATORS AND THEIR USES INNOV17 LLC (US) 2016-05-12 US disclosed
US-20160130231-A1 ROR MODULATORS AND THEIR USES INNOV17 LLC (US) 2016-05-12 US disclosed
US-20150073016-A1 ROR MODULATORS AND THEIR USES INNOV17 LLC 2015-03-12 US disclosed
US-20150073016-A1 ROR MODULATORS AND THEIR USES INNOV17 LLC 2015-03-12 US disclosed
EP-2844259-A1 ROR MODULATORS AND THEIR USES Gaweco, Anderson (US) 2015-03-11 EP disclosed
WO-2013166013-A1 ROR MODULATORS AND THEIR USES GAWECO ANDERSON (US) 2013-11-07 WO disclosed
WO-2013166013-A1 ROR MODULATORS AND THEIR USES GAWECO ANDERSON (US) 2013-11-07 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-20160130231-A1 ROR MODULATORS AND THEIR USES RORB, RORA, RORC HDAC6 381/4885HDAC1 460/4885HDAC8 426/4885
US-20150073016-A1 ROR MODULATORS AND THEIR USES RORB, RORA, RORC HDAC6 381/4885HDAC1 460/4885HDAC8 426/4885

“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.