SCHEMBL14048985

SCHEMBL14048985

CCC(=O)c1sc(-c2ccccc2)cc1N(CC1CCN(C(=O)OCc2ccccc2)CC1)C(=O)CC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ GRIN2B Q13224 11/20 0.43
▸ CYP2D6 P10635 4/20 0.43
▸ CYP2C9 P11712 4/20 0.43
▸ CYP2C19 P33261 1/20 0.42
▸ FAAH O00519 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ CYP3A4 P08684 3/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ACHE P22303 1/20 0.38

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
SCHEMBL14136980 0.92 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6
SCHEMBL14030873 0.90 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6
SCHEMBL14048987 0.85 OPRD1 (0.42) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL6426855 0.83 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6
SCHEMBL12464666 0.81 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6
SCHEMBL2879579 0.81 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6
SCHEMBL12395525 0.79 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6
SCHEMBL2157463 0.78 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6
SCHEMBL3094737 0.77 GRIN2B (0.50) SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6
SCHEMBL2158340 0.77 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6

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-20080269481-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2008-10-30 — — 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-20080269481-A1 Compounds and methods for the treatment or prevention of Flavivirus infections ZC3HAV1, ZYX, ZFX SMN1; SMN2 1088/4885NPC1 146/4885RAB9A 619/4885

“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.

Send feedback