SCHEMBL15601436

SCHEMBL15601436

COCC(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.45
MAPT P10636 3/20 0.44
HDAC1 Q13547 5/20 0.44
HDAC8 Q9BY41 5/20 0.44
HDAC6 Q9UBN7 5/20 0.44
MLYCD O95822 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.40
RORC P51449 4/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX5 P09917 1/20 0.39
EPHX2 P34913 1/20 0.39
KCNT1 Q5JUK3 1/20 0.39
HPGD P15428 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
SCHEMBL17154069 0.92 CES2 (0.45) CES2MAPTHDAC1HDAC8HDAC6
SCHEMBL15525683 0.88 SMN1; SMN2 (0.52) CES2MAPTHDAC1HDAC8HDAC6
SCHEMBL15601434 0.86 ALOX5 (0.55) HDAC8HDAC6MLYCDSMN1; SMN2ALOX5
SCHEMBL17154055 0.85 HDAC1 (0.46) CES2MAPTHDAC1HDAC8HDAC6
SCHEMBL15601435 0.84 ALOX5 (0.49) HDAC1HDAC8HDAC6ALOX5EPHX2
SCHEMBL15528513 0.82 HDAC6 (0.53) MAPTHDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL15526112 0.81 HDAC6 (0.45) CES2HDAC1HDAC8HDAC6POLB
SCHEMBL17154042 0.80 SMN1; SMN2 (0.52) HDAC1HDAC8HDAC6MLYCDSMN1; SMN2
SCHEMBL15529163 0.78 HDAC6 (0.55) MAPTHDAC1HDAC8HDAC6MLYCD
SCHEMBL15529030 0.77 HDAC6 (0.65) MAPTHDAC1HDAC8HDAC6POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321750-B2 ROR modulators and their uses INNOV17 LLC (US) 2016-04-26 US disclosed
US-9321750-B2 ROR modulators and their uses INNOV17 LLC (US) 2016-04-26 US disclosed
US-20150284366-A1 ROR MODULATORS AND THEIR USES INNOV17 LLC 2015-10-08 US disclosed
US-20150284366-A1 ROR MODULATORS AND THEIR USES INNOV17 LLC 2015-10-08 US disclosed
WO-2013159095-A1 ROR MODULATORS AND THEIR USES GAWECO ANDERSON (US) 2013-10-24 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-20150284366-A1 ROR MODULATORS AND THEIR USES RORA, RORB, RORC CES2 3678/4885MAPT 2512/4885HDAC1 583/4885

“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.