SCHEMBL287302

SCHEMBL287302

COc1ccc(Cn2nc(C(F)(F)F)cc2CN(C(=O)O)C(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.41
NPBWR1 P48145 2/20 0.41
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
PTGER4 P35408 1/20 0.39
AKR1C2 P52895 1/20 0.39
ASIC1 P78348 1/20 0.39
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGER1 P34995 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
SCHEMBL2686354 0.81 PTGER4 (0.46) AKR1C3HDAC3HDAC4HDAC1HDAC7
SCHEMBL2686357 0.79 AKR1C3 (0.42) AKR1C3NPBWR1HDAC3HDAC4HDAC1
SCHEMBL2688186 0.78 GRN (0.57) AKR1C3HDAC3HDAC4HDAC1HDAC7
SCHEMBL287956 0.78 PTGS2 (0.44) AKR1C3NPBWR1MAPT
SCHEMBL25225321 0.77 MAPT (0.44) AKR1C3HDAC3HDAC4HDAC1HDAC7
SCHEMBL5064196 0.77 PTGER4 (0.42) AKR1C3HDAC3HDAC4HDAC1HDAC7
SCHEMBL2209892 0.76 HTT (0.51) SMN1; SMN2
Pivalate SCHEMBL27592717 0.75 MAPT (0.47) AKR1C3ASIC1MAPTF10
SCHEMBL4070158 0.75 ALDH1A1 (0.47) AKR1C3HDAC3HDAC4HDAC1HDAC7
SCHEMBL1197408 0.74 PTGS2 (0.50) AKR1C3NPBWR1MAPT

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-8334315-B2 Substituted aromatic carboxamide and urea derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2012-12-18 US disclosed
EP-2427436-A1 SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2012-03-14 EP disclosed
EP-2427435-A1 SUBSTITUTED PHENYLUREAS AND PHENYLAMIDES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2012-03-14 EP disclosed
US-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2011-01-06 US 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-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands TRPV1, UTS2R, CNR2 AKR1C3 1630/4885NPBWR1 615/4885HDAC3 1244/4885

“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.