SCHEMBL718075

SCHEMBL718075

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 4/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
TGM2 P21980 2/20 0.39
EGFR P00533 1/20 0.39
HPGD P15428 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
MTNR1A P48039 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
SCHEMBL717801 0.90 NPC1 (0.47) NPC1RAB9AALDH1A1CYP2C9CYP2C19
SCHEMBL720076 0.82 NPC1 (0.41) NPC1RAB9AALDH1A1CYP2C9CYP2C19
SCHEMBL721004 0.81 NPC1 (0.52) NPC1RAB9AALDH1A1CYP2C9CYP2C19
SCHEMBL718016 0.81 NPC1 (0.52) NPC1RAB9AALDH1A1CYP2C9CYP2C19
SCHEMBL5666943 0.81 NPC1 (0.48) NPC1RAB9AALDH1A1CYP2C9CYP2C19
SCHEMBL285489 0.74 TGM2 (0.46) NPC1RAB9AALDH1A1CYP2C9CYP2C19
SCHEMBL719426 0.73 TGM2 (0.48) NPC1RAB9AALDH1A1CYP2C9CYP2C19
SCHEMBL299746 0.71 NPC1 (0.43) NPC1RAB9AALDH1A1CYP2C9CYP2C19
SCHEMBL8017839 0.70 MTNR1A (0.63) NPC1RAB9AALDH1A1CYP2C9CYP2C19
SCHEMBL294482 0.70 ALDH1A1 (0.42) NPC1RAB9AALDH1A1CYP2C9CYP2C19

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 3204/4885ALDH1A1 3560/4885

“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.