SCHEMBL94273

SCHEMBL94273

CCCN(CC(=O)OCC)c1cc(Br)c(C#N)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.58
MME P08473 1/20 0.58
ALDH1A1 P00352 6/20 0.36
PTP4A1 Q93096 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
STING1 Q86WV6 2/20 0.34
KDM4E B2RXH2 5/20 0.32
TDP1 Q9NUW8 2/20 0.32
PPARG P37231 1/20 0.31
HTT P42858 1/20 0.31
GLA P06280 1/20 0.31
MAPT P10636 3/20 0.31
ALDH3A1 P30838 1/20 0.31
ALDH1A3 P47895 1/20 0.31
MEN1 O00255 1/20 0.31
PKM P14618 1/20 0.31
ALOX12 P18054 1/20 0.31
CASP1 P29466 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL95095 0.85 AR (0.60) ARMME
SCHEMBL94401 0.83 AR (0.60) ARMMEALDH1A1LMNA
SCHEMBL94502 0.82 AR (0.76) ARMMEALDH1A1SMN1; SMN2MAPT
SCHEMBL440793 0.79 AR (0.72) ARMMEALDH1A1SMN1; SMN2MAPT
SCHEMBL96572 0.76 AR (0.64) ARMMEALDH1A1ALDH3A1ALDH1A3
SCHEMBL95670 0.75 MME (0.53) ARMME
SCHEMBL438874 0.74 AR (0.64) ARMMESMN1; SMN2MAPT
SCHEMBL95396 0.74 AR (1.00) ARMME
SCHEMBL94639 0.73 AR (0.60) ARMME
SCHEMBL94638 0.73 AR (0.60) ARMME

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
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
EP-2426117-A1 THIOPHENE DERIVATIVE Sumitomo Chemical Company, Limited (JP) 2012-03-07 EP 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 1367/4885ALDH1A1 729/4885

“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.