SCHEMBL718016

SCHEMBL718016

C=CC(=O)NCCSC(C)(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 4/20 0.44
KIF11 P52732 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HPGD P15428 3/20 0.43
TGM2 P21980 3/20 0.42
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL721004 0.89 NPC1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL5666943 0.85 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1KIF11
SCHEMBL717801 0.83 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1KIF11
SCHEMBL718075 0.81 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL285489 0.81 TGM2 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL719664 0.80 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1KIF11
SCHEMBL719426 0.80 TGM2 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL25257404 0.76 ZDHHC20 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL12285581 0.76 NPC1 (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL285630 0.74 THRB (0.50) SMN1; SMN2ALDH1A1KIF11CYP3A4CYP2C9

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-8729203-B2 Polymer composition CONTAMAC LIMITED (GB) 2014-05-20 US disclosed
US-20120053313-A1 POLYMER COMPOSITION CONTAMAC LIMITED (GB) 2012-03-01 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-20120053313-A1 POLYMER COMPOSITION UACA, CRYAA, CRYZ NPC1 4414/4885RAB9A 3204/4885SMN1; SMN2 4542/4885

“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.