SCHEMBL2679077

SCHEMBL2679077

O=Cc1c(C(=O)O)nn(-c2ccccc2F)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.39
RIPK1 Q13546 5/20 0.39
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPK14 Q16539 1/20 0.38
CTSA P10619 1/20 0.37
KCNN4 O15554 1/20 0.36
NOTUM Q6P988 1/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
MITF O75030 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL6515355 0.86 ALDH1A1 (0.46) NPSR1RIPK1ALDH1A1NPC1RAB9A
SCHEMBL2677617 0.82 NPSR1 (0.60) NPSR1ALDH1A1NPC1RAB9AKMT2A
SCHEMBL6123646 0.81 ALDH1A1 (0.49) NPSR1ALDH1A1NPC1RAB9AKMT2A
SCHEMBL15330119 0.81 KMT2A (0.42) NPSR1ALDH1A1MAPK14KCNN4KMT2A
SCHEMBL15331113 0.80 HPGD (0.39) NPSR1ALDH1A1NPC1RAB9AKCNN4
SCHEMBL20578432 0.79 HPGD (0.46) NPSR1ALDH1A1NPC1RAB9AKCNN4
SCHEMBL14161878 0.78 CNR1 (0.48) ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL2552256 0.77 KCNN4 (0.37) ALDH1A1NPC1RAB9AMAPK14KCNN4
SCHEMBL2563102 0.77 GAA (0.38) KCNN4KMT2AHPGDGAA
SCHEMBL15329895 0.77 KMT2A (0.39) RIPK1ALDH1A1NPC1RAB9AMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173680-B2 Cannabinoid receptor modulators 7TM PHARMA A/S (DK) 2012-05-08 US disclosed
US-8173680-B2 Cannabinoid receptor modulators 7TM PHARMA A/S (DK) 2012-05-08 US disclosed
US-8173680-B2 Cannabinoid receptor modulators 7TM PHARMA A/S (DK) 2012-05-08 US disclosed
US-20100292273-A1 Cannabinoid Receptor Modulators 7TM PHARMA A/S (DK) 2010-11-18 US disclosed
US-20100292273-A1 Cannabinoid Receptor Modulators 7TM PHARMA A/S (DK) 2010-11-18 US disclosed
US-20100292273-A1 Cannabinoid Receptor Modulators 7TM PHARMA A/S (DK) 2010-11-18 US disclosed
EP-2231615-A1 CANNABINOID RECEPTOR MODULATORS 7TM Pharma A/S (DK) 2010-09-29 EP disclosed
EP-2120931-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF CANNABINOID RECEPTOR 7TM Pharma A/S (DK) 2009-11-25 EP disclosed
WO-2009074782-A1 CANNABINOID RECEPTOR MODULATORS 7TM PHARMA A/S (DK) 2009-06-18 WO disclosed
WO-2009074782-A1 CANNABINOID RECEPTOR MODULATORS 7TM PHARMA A/S (DK) 2009-06-18 WO disclosed
WO-2008074982-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF CANNABINOID RECEPTOR 7TM PHARMA A/S (DK) 2008-06-26 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-20100292273-A1 Cannabinoid Receptor Modulators CNR1, CNR2, CBR1 NPSR1 63/4885RIPK1 971/4885ALDH1A1 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.