SCHEMBL14967199

SCHEMBL14967199

Cc1cc(C)c(CNC(=O)c2ccc(C3CCCC3)cc2)c(O)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 1/20 0.50
▸ HDAC8 Q9BY41 2/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ KLKB1 P03952 4/20 0.43
▸ DEGS1 O15121 2/20 0.43
▸ PPARD Q03181 2/20 0.41
▸ PPARG P37231 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ HDAC3 O15379 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ RAMP1 O60894 1/20 0.39
▸ CALCRL Q16602 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ HAO1 Q9UJM8 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ TAOK1 Q7L7X3 1/20 0.39
▸ TAOK3 Q9H2K8 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL14966692 0.86 KLKB1 (0.40) CCR5KLKB1
SCHEMBL14966911 0.84 KMT2A (0.44) KLKB1RAB9A
SCHEMBL14966675 0.79 PDE4A (0.39) HDAC1KLKB1HDAC3
SCHEMBL14966673 0.79 EED (0.44) CCR5KLKB1RAMP1CALCRLTRPV1
SCHEMBL14966192 0.79 EPHX2 (0.43) HDAC8HDAC6KLKB1HDAC3RAB9A
SCHEMBL14972010 0.77 EZH2 (0.57) CCR5
SCHEMBL14966781 0.77 RAB9A (0.47) HDAC6HDAC1KLKB1PPARGRAB9A
SCHEMBL14966808 0.77 KLKB1 (0.51) HDAC6HDAC1KLKB1
SCHEMBL14966526 0.77 KLKB1 (0.40) CCR5KLKB1RAMP1CALCRLRAB9A
SCHEMBL14966755 0.77 SLC8A1 (0.39) KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 — — US disclosed
US-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 — — US disclosed
US-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 — — US disclosed
US-20140288123-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2014-09-25 — — US disclosed
EP-2780014-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2014-09-24 — — EP disclosed
WO-2013075083-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 — — WO disclosed
WO-2013075083-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 — — 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-20140288123-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 CCR5 4755/4885HDAC8 149/4885HDAC6 424/4885

“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.

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