SCHEMBL14030802

SCHEMBL14030802

CC(=O)c1sc(-c2ccccc2)cc1N(CC1CCCN(C(=O)OCc2ccccc2)C1)C(=O)C1CCC(C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ BCL9 O00512 4/20 0.37
▸ CTNNB1 P35222 4/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ CYP2C19 P33261 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL2870816 0.93 HTT (0.40) ACKR3SMN1; SMN2NPC1RAB9ABCL9
SCHEMBL6426855 0.86 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL14030873 0.85 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL2879579 0.84 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL2877042 0.81 NR1I2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4HTT
SCHEMBL12464666 0.81 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL2876967 0.80 KDM4E (0.46) CHRNB2CHRNB4CHRNA3CHRNA4HTT
SCHEMBL3812649 0.79 CYP2E1 (0.38) SMN1; SMN2CYP2C19HTT
SCHEMBL2157834 0.75 CYP2E1 (0.43) HTT
SCHEMBL2746312 0.74 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9ACYP2C19HTT

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 2 patents. 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
US-7402608-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2008-07-22 — — 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 ACKR3 2730/4885SMN1; SMN2 1088/4885NPC1 146/4885

“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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