SCHEMBL17366555

SCHEMBL17366555

CCC[n+]1ccc(-c2cccc(S(=O)(=O)CCCCS(=O)(=O)c3cccc(-c4cc[n+](CCC)cc4)c3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 6/20 0.40
CYP2C19 P33261 6/20 0.40
CYP1A2 P05177 4/20 0.40
CYP2D6 P10635 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP3A4 P08684 4/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
BRD4 O60885 1/20 0.36
NR1H2 P55055 2/20 0.35
HSD17B1 P14061 2/20 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
Iodide SCHEMBL17364190 0.99 KDM4E (0.41) CYP2C9CYP2C19CYP1A2CYP2D6MEN1
SCHEMBL18395010 0.84 NR1H2 (0.43) CYP2C9CYP2C19CYP1A2CYP2D6MEN1
Water SCHEMBL30689995 0.82 NR1H2 (0.42) CYP2C9CYP2C19CYP1A2CYP2D6MEN1
SCHEMBL2703373 0.82 CYP2C9 (0.48) CYP2C9CYP2C19CYP1A2CYP2D6CYP3A4
SCHEMBL8745144 0.81 HDAC1 (0.47) CYP2C9CYP2C19CYP1A2CYP2D6CYP3A4
SCHEMBL4630948 0.81 CYP2C9 (0.47) CYP2C9CYP2C19CYP1A2CYP2D6CYP3A4
SCHEMBL2704870 0.80 CYP2C9 (0.49) CYP2C9CYP2C19CYP1A2CYP2D6TP53
SCHEMBL8920560 0.79 CYP2C9 (0.45) CYP2C9CYP2C19CYP1A2CYP2D6CYP3A4
Formic Acid SCHEMBL18395650 0.79 NR1H2 (0.40) CYP2C9CYP2C19CYP1A2CYP2D6MEN1
SCHEMBL1228349 0.77 CYP2C9 (0.58) CYP2C9CYP2C19CYP1A2CYP2D6CYP3A4

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-20150374677-A1 ANALOGS OF PRIDOPIDINE, THEIR PREPARATION AND USE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2015-12-31 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-20150374677-A1 ANALOGS OF PRIDOPIDINE, THEIR PREPARATION AND USE QDPR, DRD2, OPRD1 CYP2C9 75/4885CYP2C19 81/4885CYP1A2 156/4885

“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.