SCHEMBL766087

SCHEMBL766087

O=C(O)CC1SCN(c2cccc(C(F)(F)F)c2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
NOTUM Q6P988 2/20 0.44
ALKBH5 Q6P6C2 1/20 0.42
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
GRM2 Q14416 1/20 0.40
CCR2 P41597 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
RECQL P46063 1/20 0.39
KCNH2 Q12809 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL8790062 0.89 CFTR (0.41) CFTRKMT2AMEN1NOTUMDRD2
SCHEMBL8788918 0.85 TSHR (0.43) CFTRKMT2AMEN1NOTUMCCR2
SCHEMBL9055430 0.82 SMN1; SMN2 (0.47) KMT2AMEN1LMNAPOLBALDH1A1
SCHEMBL14326074 0.81 FFAR4 (0.46) KMT2AMEN1NOTUMALDH1A1GAA
SCHEMBL5827269 0.80 MEN1 (0.43) KMT2AMEN1NOTUMALKBH5DRD2
SCHEMBL766116 0.79 FFAR4 (0.41) CFTRKMT2AMEN1LMNAPOLB
SCHEMBL8090519 0.77 HTR7 (0.46) KMT2AMEN1DRD2DRD3ALDH1A1
SCHEMBL6509757 0.77 MEN1 (0.43) KMT2AMEN1DRD2DRD3ALDH1A1
SCHEMBL8788747 0.77 CA12 (0.45) KMT2AMEN1DRD2DRD3ALDH1A1
SCHEMBL8787665 0.77 MEN1 (0.43) KMT2AMEN1DRD2DRD3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295406-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-04-23 EP claimed
US-20110251187-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-13 US claimed
EP-2295406-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-03-16 EP claimed
EP-2419413-B1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES TAKEDA PHARMACEUTICAL (JP) 2016-11-23 EP disclosed
US-8853215-B2 Derivatives of N-acyl-N′-phenylpiperazine useful (inter alia) for the prophylaxis or treatment of diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-10-07 US disclosed
EP-2295406-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-04-23 EP disclosed
US-8338622-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-25 US disclosed
US-8338622-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-25 US disclosed
US-20120071489-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-22 US disclosed
US-20110251187-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-13 US disclosed
US-20110251187-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-13 US disclosed
EP-2295406-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-03-16 EP disclosed
EP-0763020-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1997-03-19 EP disclosed
WO-1995033719-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1995-12-14 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-20120071489-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES RBP4, RBP1, FABP4 CFTR 3311/4885KMT2A 802/4885MEN1 3929/4885
US-20110251187-A1 HETEROCYCLIC COMPOUND NES, BMI1, DOT1L CFTR 2620/4885KMT2A 105/4885MEN1 315/4885

“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.