SCHEMBL15057528

SCHEMBL15057528

Cc1nn(C)c(Oc2cc(Cl)ccc2Cl)c1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.68
KDM4E B2RXH2 1/20 0.68
GPBAR1 Q8TDU6 7/20 0.53
LMNA P02545 1/20 0.48
CYP1A2 P05177 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP2C9 P11712 2/20 0.44
CYP3A4 P08684 2/20 0.44
RHEB Q15382 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 3/20 0.40
GALR3 O60755 1/20 0.39
NR2F2 P24468 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL876596 0.88 KDM4E (0.58) MAPTKDM4EGPBAR1CYP1A2CYP2C19
SCHEMBL876054 0.81 KDM4E (1.00) MAPTKDM4EGPBAR1LMNACYP1A2
SCHEMBL877203 0.81 MAPT (0.74) MAPTKDM4EGPBAR1LMNACYP1A2
SCHEMBL877302 0.80 KDM4E (0.58) MAPTKDM4EGPBAR1LMNACYP1A2
SCHEMBL876477 0.80 KDM4E (0.61) MAPTKDM4EGPBAR1
SCHEMBL876428 0.80 KDM4E (0.72) MAPTKDM4EGPBAR1LMNACYP1A2
SCHEMBL875983 0.79 MAPT (0.75) MAPTKDM4EGPBAR1LMNACYP1A2
SCHEMBL15057794 0.78 SMN1; SMN2 (0.67) MAPTKDM4EGPBAR1LMNACYP1A2
SCHEMBL876600 0.77 KDM4E (0.57) MAPTKDM4EGPBAR1LMNACYP1A2
SCHEMBL15058115 0.74 GPBAR1 (0.64) GPBAR1CYP1A2CYP2C19CYP2C9CYP3A4

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-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX INC (US) 2015-05-28 US disclosed
US-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX INC (US) 2015-05-28 US disclosed
US-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX INC (US) 2015-05-28 US disclosed
CN-104220429-A Non-systemic tgr5 agonists ARDELYX INC 2014-12-17 CN disclosed
EP-2794576-A1 NON-SYSTEMIC TGR5 AGONISTS Ardelyx, Inc. (US) 2014-10-29 EP disclosed
WO-2013096771-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX, INC. (US) 2013-06-27 WO disclosed
WO-2013096771-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX, INC. (US) 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-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS GLP1R, GPR119, TRHR MAPT 1499/4885KDM4E 2830/4885GPBAR1 46/4885

“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.