SCHEMBL440801

SCHEMBL440801

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

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.60
MME P08473 1/20 0.60
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CRHR1 P34998 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL94790 0.89 AR (0.76) ARMMEKDM4EALDH1A1HPGD
SCHEMBL95044 0.84 AR (0.56) ARMMEKDM4EALDH1A1HPGD
SCHEMBL440793 0.81 AR (0.72) ARMMEALDH1A1MAPTSMN1; SMN2
SCHEMBL440332 0.79 AR (0.51) ARMMEMAPTSMN1; SMN2
SCHEMBL95396 0.75 AR (1.00) ARMME
SCHEMBL94502 0.74 AR (0.76) ARMMEALDH1A1MAPTSMN1; SMN2
SCHEMBL96072 0.73 AR (0.74) ARMMEMAPTSMN1; SMN2
SCHEMBL94182 0.70 AR (0.68) ARMME
SCHEMBL94364 0.70 AR (0.69) ARMMEALDH1A1MAPTSMN1; SMN2
SCHEMBL96572 0.67 AR (0.64) ARMMEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065231-A1 THIOPHENE DERIVATIVE SUMITOMO CHEMICAL COMPANY LTD. (JP) 2012-03-15 US 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 1367/4885KDM4E 2227/4885

“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.