SCHEMBL3708992

SCHEMBL3708992

CCOC(=O)c1cc(O)n(-c2cccc(F)c2F)n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.51
THRB P10828 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
KMT2A Q03164 4/20 0.45
GAA P10253 1/20 0.45
CYP1A2 P05177 1/20 0.44
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHRNA7 P36544 1/20 0.41
MEN1 O00255 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL3703311 0.90 MAPT (0.47) TP53THRBNPSR1KMT2AGAA
SCHEMBL3695919 0.90 TP53 (0.51) TP53THRBNPSR1KMT2AGAA
SCHEMBL3698071 0.90 NPSR1 (0.57) TP53THRBNPSR1KMT2AGAA
SCHEMBL3706524 0.88 TP53 (0.49) TP53THRBNPSR1KMT2AGAA
SCHEMBL3700485 0.88 PDE4B (0.47) TP53THRBNPSR1KMT2AGAA
SCHEMBL538328 0.82 MAPT (0.54) TP53THRBKMT2AGAACYP1A2
SCHEMBL476340 0.82 TP53 (0.45) TP53THRBNPSR1KMT2AGAA
SCHEMBL3698011 0.81 MAPT (0.49) TP53THRBNPSR1KMT2AGAA
SCHEMBL3696933 0.81 TP53 (0.47) TP53THRBNPSR1KMT2AGAA
SCHEMBL2837904 0.81 THRB (0.47) TP53THRBNPSR1KMT2AGAA

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 5 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
EP-2190822-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-06-02 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

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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 TP53 4668/4885THRB 3537/4885NPSR1 2001/4885

“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.