SCHEMBL94074

SCHEMBL94074

CCCN(CC1CC1)c1cc(C#N)c(C(F)(F)F)s1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.56
MME P08473 1/20 0.42
CNR2 P34972 3/20 0.38
CRHR1 P34998 10/20 0.37
PLK1 P53350 2/20 0.37
CRHR2 Q13324 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
CNR1 P21554 1/20 0.35

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
SCHEMBL94067 0.84 AR (0.50) ARMMECNR2CRHR1PLK1
SCHEMBL13071313 0.81 AR (0.47) ARMMECRHR1PLK1KDM4E
SCHEMBL95044 0.81 AR (0.56) ARMMECNR2CRHR1CRHR2
SCHEMBL3057837 0.74 AR (0.66) ARCNR2CRHR1CNR1
SCHEMBL94813 0.73 AR (0.44) ARMMECRHR1KDM4EALDH1A1
SCHEMBL94819 0.73 AR (0.63) ARMMECNR2CRHR1PLK1
SCHEMBL5471910 0.71 AR (1.00) ARCNR2CRHR1PLK1KDM4E
SCHEMBL94814 0.71 CNR2 (0.45) ARMMECNR2CRHR1CRHR2
SCHEMBL3054719 0.68 PGR (0.58) ARCNR2PLK1
SCHEMBL21653051 0.66 AR (0.39) AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065231-A1 THIOPHENE DERIVATIVE SUMITOMO CHEMICAL COMPANY LTD. (JP) 2012-03-15 US claimed
EP-2426117-A1 THIOPHENE DERIVATIVE Sumitomo Chemical Company, Limited (JP) 2012-03-07 EP claimed
US-20120065231-A1 THIOPHENE DERIVATIVE SUMITOMO CHEMICAL COMPANY LTD. (JP) 2012-03-15 US disclosed
US-20120065231-A1 THIOPHENE DERIVATIVE SUMITOMO CHEMICAL COMPANY LTD. (JP) 2012-03-15 US disclosed
US-20120065231-A1 THIOPHENE DERIVATIVE SUMITOMO CHEMICAL COMPANY LTD. (JP) 2012-03-15 US disclosed
EP-2426117-A1 THIOPHENE DERIVATIVE Sumitomo Chemical Company, Limited (JP) 2012-03-07 EP disclosed
EP-2426117-A1 THIOPHENE DERIVATIVE Sumitomo Chemical Company, Limited (JP) 2012-03-07 EP disclosed
WO-2010126167-A1 THIOPHENE DERIVATIVE 住友化学株式会社 (JP) 2010-11-04 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-20120065231-A1 THIOPHENE DERIVATIVE AR, NR5A1, SHBG AR 1/4885MME 1367/4885CNR2 305/4885

“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.