SCHEMBL13638132

SCHEMBL13638132

CC(=O)SCCC(=N)NC1CCCCCCCCC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 8/20 0.41
▸ EPHX2 P34913 5/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL13638135 0.83 SMN1; SMN2 (0.56) EPHX1SMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL13638134 0.75 ALDH1A1 (0.39) EPHX1EPHX2SMN1; SMN2ALDH1A1NPC1
SCHEMBL31532555 0.73 NPSR1 (0.53) EPHX1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL10085163 0.73 NPSR1 (0.53) EPHX1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL21340181 0.73 NPSR1 (0.53) EPHX1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL10078381 0.73 NPSR1 (0.53) EPHX1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL14110289 0.73 NPSR1 (0.53) EPHX1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL18613033 0.73 NPSR1 (0.53) EPHX1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL13292222 0.71 CYP2C19 (0.40) —
SCHEMBL9804119 0.71 SMN1; SMN2 (0.52) EPHX1EPHX2SMN1; SMN2ALDH1A1NPC1

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 EPHX1 1180/4885EPHX2 1164/4885SMN1; SMN2 3461/4885

“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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