SCHEMBL2806130

SCHEMBL2806130

CN(C)C(=O)C(Cc1cccc(Oc2cccc(C#N)c2)c1)NC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR34 Q9UPC5 1/20 0.48
MMP9 P14780 3/20 0.45
MMP8 P22894 3/20 0.45
MMP14 P50281 1/20 0.45
MME P08473 1/20 0.44
ACE P12821 1/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
MAOB P27338 1/20 0.42
PTGES O14684 1/20 0.42
NLRP3 Q96P20 1/20 0.41
PYGL P06737 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TACR1 P25103 1/20 0.41
PIN1 Q13526 1/20 0.40
PPARG P37231 1/20 0.40

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
SCHEMBL2805855 0.87 CTSS (0.51) GPR34MMP9MMP8ACECTSL
SCHEMBL2804528 0.82 DPP7 (0.43) GPR34MAOBSMN1; SMN2
Hydrochloric Acid SCHEMBL2804437 0.81 DPP7 (0.43) GPR34MAOBSMN1; SMN2
SCHEMBL15915743 0.78 NLRP3 (0.46) GPR34MAOBPTGESNLRP3PYGL
SCHEMBL23270508 0.78 MMP9 (0.52) MMP9MMP8MMP14ACEMAOB
SCHEMBL23270509 0.78 MMP9 (0.52) MMP9MMP8MMP14ACEMAOB
SCHEMBL2802875 0.75 MMP9 (0.56) MMP9MMP8MMP14PYGLCTSL
SCHEMBL25410860 0.75 MMP9 (0.73) MMP9MMP8MMP14PYGLCTSL
SCHEMBL24414099 0.75 MMP9 (0.73) MMP9MMP8MMP14PYGLCTSL
SCHEMBL5263129 0.71 GLA (0.54) MAOBNLRP3PIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 US disclosed
WO-2010108059-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTAGONISTS OF THE HISTAMINE H4 RECEPTOR INCYTE CORPORATION (US) 2010-09-23 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 (2 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-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS HRH4, HRH2, HRH1 GPR34 56/4885MMP9 4243/4885MMP8 1488/4885
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS HRH4, HRH2, HRH1 GPR34 25/4885MMP9 4044/4885MMP8 1325/4885

“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.