SCHEMBL3713741

SCHEMBL3713741

CCOC(=O)c1cc(O)n(-c2cc(F)ccc2Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
CHRNA7 P36544 2/20 0.45
PDE4B Q07343 1/20 0.43
TP53 P04637 2/20 0.43
TSHR P16473 1/20 0.43
SLC34A1 Q06495 1/20 0.42
NOTUM Q6P988 1/20 0.42
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GABRA2 P47869 2/20 0.40
GABRB2 P47870 2/20 0.40
MAPT P10636 3/20 0.40
POLB P06746 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
SCHEMBL2837904 0.88 THRB (0.47) THRBCHRNA7TP53TSHRSLC34A1
SCHEMBL3691577 0.88 THRB (0.47) THRBCHRNA7TP53TSHRSLC34A1
SCHEMBL3698011 0.85 MAPT (0.49) THRBCHRNA7TP53TSHRSLC34A1
SCHEMBL2843332 0.84 PDE4B (0.60) PDE4BTP53KMT2AGAALMNA
SCHEMBL3700485 0.82 PDE4B (0.47) THRBCHRNA7PDE4BTP53NOTUM
SCHEMBL5797399 0.81 GABRA2 (0.57) CHRNA7TP53KMT2ALMNAGABRA2
SCHEMBL3706524 0.80 TP53 (0.49) THRBCHRNA7PDE4BTP53KMT2A
SCHEMBL4125684 0.80 THRB (0.46) THRBCHRNA7PDE4BTP53KMT2A
SCHEMBL3698071 0.79 NPSR1 (0.57) THRBTP53KMT2AGAANPC1
SCHEMBL3696933 0.78 TP53 (0.47) THRBCHRNA7TP53SLC34A1KMT2A

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 THRB 3537/4885CHRNA7 3364/4885PDE4B 399/4885

“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.