SCHEMBL2802875

SCHEMBL2802875

CN(C)C(=O)C(Cc1cccc(O)c1)NC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 3/20 0.56
MMP8 P22894 3/20 0.56
MMP14 P50281 1/20 0.56
PYGL P06737 9/20 0.49
GRIA2 P42262 1/20 0.45
CHRNA1 P02708 1/20 0.44
CHRNG P07510 1/20 0.44
CHRNB1 P11230 1/20 0.44
CHRND Q07001 1/20 0.44
NOS2 P35228 1/20 0.43
HPGDS O60760 1/20 0.43
CTSL P07711 1/20 0.43

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
SCHEMBL24414099 0.85 MMP9 (0.73) MMP9MMP8MMP14PYGLCTSL
SCHEMBL25410860 0.85 MMP9 (0.73) MMP9MMP8MMP14PYGLCTSL
SCHEMBL2803380 0.82 CTSS (0.52) MMP9MMP8MMP14CTSL
SCHEMBL16669876 0.81 FPR2 (0.45) PYGL
SCHEMBL2808661 0.78 MMP9 (0.63) MMP9MMP8MMP14PYGL
SCHEMBL2747349 0.78 NPC1 (0.56) GRIA2
SCHEMBL2747345 0.78 NPC1 (0.56) GRIA2
SCHEMBL3002357 0.75 NOS2 (0.55) GRIA2NOS2
SCHEMBL3002363 0.75 NOS2 (0.55) GRIA2NOS2
SCHEMBL2806130 0.75 GPR34 (0.48) MMP9MMP8MMP14PYGLCTSL

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 MMP9 4243/4885MMP8 1488/4885MMP14 4652/4885
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS HRH4, HRH2, HRH1 MMP9 4044/4885MMP8 1325/4885MMP14 4068/4885

“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.