SCHEMBL15055428

SCHEMBL15055428

CCOC(=O)Cc1ccc(OCC(F)(F)F)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 1/20 0.42
SYK P43405 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
HDAC1 Q13547 2/20 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
SCHEMBL18524202 0.90 SMN1; SMN2 (0.43) GAANPC1RAB9ASMN1; SMN2ABL1
SCHEMBL137848 0.86 MAPT (0.52) GAANPC1RAB9ASMN1; SMN2ABL1
SCHEMBL17316411 0.86 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL15056506 0.84 ABL1 (0.45) GAANPC1RAB9ASMN1; SMN2ABL1
SCHEMBL134808 0.84 ABL1 (0.59) GAASMN1; SMN2ABL1RIN1ALDH1A1
SCHEMBL18524390 0.83 ABL1 (0.44) GAASMN1; SMN2ABL1RIN1ALDH1A1
SCHEMBL18524324 0.83 GAA (0.53) GAASMN1; SMN2ABL1RIN1ALDH1A1
SCHEMBL15056209 0.82 ABL1 (0.46) GAANPC1RAB9ASMN1; SMN2ABL1
SCHEMBL1202011 0.82 L3MBTL1 (0.45) GAANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1202564 0.82 SMN1; SMN2 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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
EP-2794563-B1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2017-02-22 EP disclosed
US-9255090-B2 Heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-09 US disclosed
US-20150252036-A1 Heterocyclyl Derivatives and their use as Prostaglandin D2 Receptor Modulators IDORSIA PHARMACEUTICALS LTD (CH) 2015-09-10 US disclosed
EP-2794563-A1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2014-10-29 EP disclosed
WO-2013093842-A1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2013-06-27 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-20150252036-A1 Heterocyclyl Derivatives and their use as Prostaglandin D2 Receptor Modulators PTGDR, PTGER1, PTGDR2 GAA 4674/4885NPC1 2085/4885RAB9A 1736/4885

“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.