Sugi Predict

Sugi Predict / Compounds / SCHEMBL15528813

SCHEMBL15528813

SCHEMBL15528813

OC(c1ccc(CN2CCc3cc(-c4cn[nH]c4)ccc32)cc1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHB4 P54760 1/20 0.41
▸ RORC P51449 7/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ NR1H3 Q13133 2/20 0.38
▸ ALOX5 P09917 4/20 0.38
▸ EPHX2 P34913 3/20 0.38
▸ KCNT1 Q5JUK3 1/20 0.38
▸ PRKACA P17612 2/20 0.37
▸ AKT1 P31749 2/20 0.37
▸ AKT2 P31751 2/20 0.37
▸ AKT3 Q9Y243 2/20 0.37
▸ ROCK2 O75116 2/20 0.37
▸ RPS6KA5 O75582 1/20 0.37
▸ RPS6KA4 O75676 1/20 0.37
▸ LATS1 O95835 1/20 0.37
▸ PRKACB P22694 1/20 0.37

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
SCHEMBL15603551 0.94 HDAC1 (0.47) EPHB4RORCHDAC1HDAC8HDAC6
SCHEMBL15603565 0.90 CYP11B2 (0.42) EPHB4HDAC1HDAC8HDAC6BRD4
SCHEMBL15528774 0.90 EPHB4 (0.52) EPHB4HDAC1HDAC8HDAC6BRD4
SCHEMBL15528912 0.88 EPHB4 (0.41) EPHB4HDAC1HDAC8HDAC6BRD4
SCHEMBL15603620 0.85 TRPV1 (0.45) EPHB4HDAC1HDAC8HDAC6BRD4
SCHEMBL15528568 0.84 HDAC6 (0.45) EPHB4RORCHDAC1HDAC8HDAC6
SCHEMBL15603592 0.84 EPHB4 (0.50) EPHB4HDAC1HDAC8HDAC6BRD4
SCHEMBL15603595 0.82 HDAC1 (0.44) EPHB4HDAC1HDAC8HDAC6BRD4
SCHEMBL15603580 0.82 RORC (0.43) RORCHDAC1HDAC8HDAC6PPARG
SCHEMBL15603576 0.82 UCHL1 (0.47) RORCHDAC1HDAC8HDAC6PPARG

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-9447069-B2 ROR modulators and their uses INNOV17 LLC (US) 2016-09-20 — — US disclosed
US-9447069-B2 ROR modulators and their uses INNOV17 LLC (US) 2016-09-20 — — US disclosed
US-9447069-B2 ROR modulators and their uses INNOV17 LLC (US) 2016-09-20 — — US disclosed
US-20150099779-A1 ROR MODULATORS AND THEIR USES INNOV17 LLC 2015-04-09 — — US disclosed
US-20150099779-A1 ROR MODULATORS AND THEIR USES INNOV17 LLC 2015-04-09 — — US disclosed
US-20150099779-A1 ROR MODULATORS AND THEIR USES INNOV17 LLC 2015-04-09 — — US disclosed
EP-2844260-A1 ROR MODULATORS AND THEIR USES Gaweco, Anderson (US) 2015-03-11 — — EP disclosed
WO-2013166015-A1 ROR MODULATORS AND THEIR USES GAWECO ANDERSON (US) 2013-11-07 — — WO disclosed
WO-2013166015-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 (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-20150099779-A1 ROR MODULATORS AND THEIR USES RORB, RORA, RORC EPHB4 425/4885RORC 3/4885HDAC1 460/4885

“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.