SCHEMBL2306496

SCHEMBL2306496

NC(Cc1ccc(Oc2ncccc2C(F)(F)F)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.52
SCN9A Q15858 2/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
ATM Q13315 1/20 0.46
P2RX3 P56373 2/20 0.46
GRB2 P62993 1/20 0.46
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
FPR2 P25090 1/20 0.45
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
KCNH2 Q12809 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
SCHEMBL2306490 1.00 PTPN1 (0.52) PTPN1SCN9AALDH1A1MAPTATM
SCHEMBL2306572 0.82 ITGB3 (0.48) PTPN1ALDH1A1P2RX3ITGB3ITGA2B
SCHEMBL2310144 0.82 ITGB3 (0.48) PTPN1ALDH1A1MAPTP2RX3ITGB3
SCHEMBL2310496 0.82 ITGB3 (0.48) PTPN1ALDH1A1ITGB3ITGA2BALPI
SCHEMBL2310489 0.82 ITGB3 (0.48) PTPN1ALDH1A1ITGB3ITGA2BALPI
SCHEMBL2310136 0.82 ITGB3 (0.48) PTPN1ALDH1A1MAPTP2RX3ITGB3
SCHEMBL2306563 0.82 ITGB3 (0.48) PTPN1ALDH1A1P2RX3ITGB3ITGA2B
SCHEMBL21803821 0.79 GRB2 (0.64) PTPN1GRB2ITGB3ITGA2BALPI
SCHEMBL4318313 0.77 ALDH1A1 (0.54) SCN9AALDH1A1MAPTATMFPR2
SCHEMBL8574571 0.77 SCN9A (0.49) SCN9AALDH1A1MAPTATMP2RX3

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-8288549-B2 Glycine B antagonist MERZ PHARMA GMBH & CO. KGAA (DE) 2012-10-16 US disclosed
US-20110190342-A1 GLYCINE B ANTAGONIST HENRICH MARKUS 2011-08-04 US disclosed
EP-2350014-A1 GLYCINE B ANTAGONISTS Merz Pharma GmbH & Co. KGaA (DE) 2011-08-03 EP disclosed
WO-2010037533-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO KGAA (DE) 2010-04-08 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-20110190342-A1 GLYCINE B ANTAGONIST GRIN2B, GLRB, GRIN2A PTPN1 3936/4885SCN9A 1262/4885ALDH1A1 4071/4885

“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.