SCHEMBL4914072

SCHEMBL4914072

Cc1[nH]cc(C(=O)OC(C)(C)C)c1-c1ccc(C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.38
GPR119 Q8TDV5 2/20 0.36
AR P10275 2/20 0.36
KIF11 P52732 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
SLC11A2 P49281 1/20 0.34

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
SCHEMBL6469467 0.80 TP53 (0.37) GPR119ARKIF11FNTAFNTB
SCHEMBL4919275 0.80 HTT (0.49) KDM1AGPR119KIF11EGLN2GABRA1
SCHEMBL5361685 0.78 KMT2A (0.51) GPR119ARKIF11FNTAFNTB
SCHEMBL5354675 0.77 AR (0.47) AR
SCHEMBL4918581 0.76 KMT2A (0.40) GPR119ARKIF11FNTAFNTB
SCHEMBL4913965 0.75 KMT2A (0.39) GPR119ARKIF11FNTAFNTB
SCHEMBL2656845 0.75 CLEC4M (0.46) FNTAFNTBGABRA1GABRA3
SCHEMBL4920883 0.73 KMT2A (0.38) GPR119ARKIF11FNTAFNTB
SCHEMBL5351989 0.73 ALDH1A1 (0.43) ARFNTAFNTBGABRA1GABRG2
SCHEMBL539759 0.73 SLC6A3 (0.46) GPR119KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176906-A1 Substituted Pyrrole Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 US disclosed
US-20080176906-A1 Substituted Pyrrole Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 US disclosed
US-20080176906-A1 Substituted Pyrrole Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 US disclosed
WO-2007145349-A2 SUBSTITUTED PYRROLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-12-21 WO disclosed
WO-2007145349-A2 SUBSTITUTED PYRROLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-12-21 WO disclosed
EP-1824841-A1 SUBSTITUTED PYRROLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-08-29 EP disclosed
WO-2006064944-A1 SUBSTITUTED PYRROLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 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-20080176906-A1 Substituted Pyrrole Derivative AR, NR5A1, MC2R KDM1A 438/4885GPR119 400/4885AR 1/4885

“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.