SCHEMBL720802

SCHEMBL720802

C=CC(=O)NC(CCSC(C)(C)c1ccccc1)(CCSC(C)(C)c1ccccc1)CCSC(C)(C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 1/20 0.49
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 3/20 0.38
MAPT P10636 1/20 0.38
TGM2 P21980 1/20 0.37
EGFR P00533 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.34
KIF11 P52732 4/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33

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
SCHEMBL717755 0.81 MAPT (0.38) ALDH1A1CYP2C19CYP3A4NPC1RAB9A
SCHEMBL721004 0.81 NPC1 (0.52) ALDH1A1CYP2C19CYP3A4CYP2C9NPC1
SCHEMBL285489 0.78 TGM2 (0.46) ALDH1A1CYP2C19CYP3A4CYP2C9NPC1
SCHEMBL719426 0.77 TGM2 (0.48) ALDH1A1CYP2C19CYP3A4CYP2C9NPC1
SCHEMBL300158 0.77 CYP2C19 (0.42) ALDH1A1CYP2C19CYP3A4CYP2C9NPC1
SCHEMBL718737 0.76 CYP2C19 (0.37) ALDH1A1CYP2C19CYP3A4CYP2C9NPC1
SCHEMBL5396951 0.73 ALDH1A1 (0.58) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL285727 0.72 THRB (0.50) ALDH1A1CYP2C19CYP3A4CYP2C9HTT
SCHEMBL285398 0.70 THRB (0.48) ALDH1A1CYP2C19CYP3A4CYP2C9SMN1; SMN2
SCHEMBL30758297 0.70 CYP2C19 (0.59) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A

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 ALDH1A1 3560/4885CYP2C19 1029/4885CYP3A4 2502/4885

“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.