SCHEMBL13638134

SCHEMBL13638134

CNC(=N)CCSSCCC(=N)NC1CCCCCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ SIGMAR1 Q99720 2/20 0.35
▸ EPHX1 P07099 5/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ EPHX2 P34913 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NPSR1 Q6W5P4 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
SCHEMBL13631878 0.78 LMNA (0.50) LMNA
SCHEMBL13638132 0.75 EPHX1 (0.41) ALDH1A1EPHX1SMN1; SMN2CYP3A4NPC1
SCHEMBL13638136 0.73 LMNA (0.60) ALDH1A1EPHX1SMN1; SMN2EPHX2MAPT
SCHEMBL9804119 0.72 SMN1; SMN2 (0.52) ALDH1A1SIGMAR1EPHX1SMN1; SMN2CYP3A4
SCHEMBL15189278 0.70 EPHX1 (0.46) ALDH1A1SIGMAR1EPHX1SMN1; SMN2CYP3A4
SCHEMBL9516460 0.69 ALDH1A1 (0.69) ALDH1A1EPHX1SMN1; SMN2NPC1RAB9A
SCHEMBL11592017 0.69 SIGMAR1 (0.54) SIGMAR1EPHX1EPHX2
SCHEMBL19164718 0.69 EPHX2 (0.40) ALDH1A1SIGMAR1EPHX1SMN1; SMN2CYP3A4
SCHEMBL20669088 0.68 HDAC1 (0.51) ALDH1A1EPHX1SMN1; SMN2CYP3A4NPC1
SCHEMBL18571638 0.68 HDAC1 (0.51) ALDH1A1EPHX1SMN1; SMN2CYP3A4NPC1

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-20090281066-A1 Treatment of proliferative disorders with amino-substituted (E)-2,6- dialkoxystyryl 4-substituted benzylsulfones TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-11-12 — — 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-20090281066-A1 Treatment of proliferative disorders with amino-substituted (E)-2,6- dialkoxystyryl 4-substituted benzylsulfones CCNY, CCND2, ETV6 ALDH1A1 1156/4885SIGMAR1 2483/4885EPHX1 1180/4885

“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.

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