SCHEMBL561391

SCHEMBL561391

CCCCOc1ccccc1Cn1ccc(C(=O)O)n1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 4/20 0.54
PLA2G4A P47712 1/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 4/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
PPARD Q03181 1/20 0.40
PLA2G2A P14555 1/20 0.40
F2 P00734 1/20 0.40
ALOX15 P16050 1/20 0.40
PKM P14618 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
SCHEMBL562123 0.89 KMT2A (0.49) PTGER1PLA2G4AKMT2AMEN1NPC1
SCHEMBL561325 0.87 KMT2A (0.50) PTGER1KMT2AMEN1NPC1RAB9A
SCHEMBL561125 0.81 SMN1; SMN2 (0.46) PTGER1KMT2AMEN1NPC1RAB9A
SCHEMBL560934 0.80 PTGER1 (0.52) PTGER1KMT2AMEN1NPC1RAB9A
SCHEMBL560811 0.79 NPC1 (0.43) PTGER1KMT2AMEN1NPC1RAB9A
SCHEMBL562353 0.78 NPC1 (0.51) PTGER1KMT2AMEN1NPC1RAB9A
SCHEMBL561365 0.78 KMT2A (0.48) PTGER1KMT2AMEN1NPC1RAB9A
SCHEMBL562087 0.77 KMT2A (0.45) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL3067259 0.74 STIM1 (0.54) PTGER1NPC1RAB9AALDH1A1TSHR
SCHEMBL12543421 0.73 NPC1 (0.71) PTGER1KMT2AMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421834-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANNEL INHIBITORS Glaxo Group Limited (GB) 2012-02-29 EP disclosed
US-20120035237-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANN EL INHIBITORS COE DIANE MARY (GB) 2012-02-09 US disclosed
US-20120035237-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANN EL INHIBITORS COE DIANE MARY (GB) 2012-02-09 US disclosed
US-20120035237-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANN EL INHIBITORS COE DIANE MARY (GB) 2012-02-09 US disclosed
WO-2010122088-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANNEL INHIBITORS GLAXO GROUP LIMITED (GB) 2010-10-28 WO disclosed
WO-2010122088-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANNEL INHIBITORS GLAXO GROUP LIMITED (GB) 2010-10-28 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-20120035237-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANN EL INHIBITORS RYR2, PAICS, CTRC PTGER1 1951/4885PLA2G4A 1807/4885KMT2A 3378/4885

“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.