SCHEMBL3698071

SCHEMBL3698071

CCOC(=O)c1cc(O)n(-c2ccccc2F)n1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.57
TP53 P04637 3/20 0.56
ALDH1A1 P00352 4/20 0.52
KMT2A Q03164 4/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 4/20 0.48
THRB P10828 1/20 0.48
HPGD P15428 1/20 0.48
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP3A4 P08684 1/20 0.45
CTSA P10619 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL3695919 0.90 TP53 (0.51) NPSR1TP53ALDH1A1KMT2AGAA
SCHEMBL3708992 0.90 TP53 (0.51) NPSR1TP53ALDH1A1KMT2AGAA
SCHEMBL3706524 0.88 TP53 (0.49) NPSR1TP53ALDH1A1KMT2AGAA
SCHEMBL538328 0.87 MAPT (0.54) TP53ALDH1A1KMT2AGAAMAPT
SCHEMBL12099796 0.86 NPSR1 (0.56) NPSR1TP53ALDH1A1KMT2AGAA
SCHEMBL2677954 0.86 NPSR1 (0.56) NPSR1TP53ALDH1A1KMT2AGAA
SCHEMBL3702377 0.86 NPSR1 (0.59) NPSR1TP53ALDH1A1KMT2AGAA
SCHEMBL3698011 0.86 MAPT (0.49) NPSR1TP53KMT2AGAAMAPT
SCHEMBL2837904 0.86 THRB (0.47) NPSR1TP53ALDH1A1KMT2AGAA
SCHEMBL3696933 0.86 TP53 (0.47) NPSR1TP53KMT2AGAAMAPT

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
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP 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
EP-2190822-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-06-02 EP disclosed
EP-2120931-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF CANNABINOID RECEPTOR 7TM Pharma A/S (DK) 2009-11-25 EP disclosed
WO-2009041705-A9 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2009-08-13 WO disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2009041705-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 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 (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-20100292273-A1 Cannabinoid Receptor Modulators CNR1, CNR2, CBR1 NPSR1 63/4885TP53 4655/4885ALDH1A1 1244/4885
US-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 NPSR1 2001/4885TP53 4668/4885ALDH1A1 1497/4885

“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.