SCHEMBL300158

SCHEMBL300158

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TGM2 P21980 2/20 0.36
KIF11 P52732 3/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
TSHR P16473 2/20 0.34
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
HIF1A Q16665 1/20 0.33
ACE P12821 1/20 0.33
HTT P42858 1/20 0.33
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
SCHEMBL719627 0.82 KDM4E (0.37) CYP2C19ALDH1A1KIF11NPC1RAB9A
SCHEMBL721004 0.80 NPC1 (0.52) CYP2C19ALDH1A1CYP3A4CYP2C9TGM2
SCHEMBL285489 0.77 TGM2 (0.46) CYP2C19ALDH1A1CYP3A4CYP2C9TGM2
SCHEMBL720802 0.77 ALDH1A1 (0.49) CYP2C19ALDH1A1CYP3A4CYP2C9TGM2
SCHEMBL719426 0.76 TGM2 (0.48) CYP2C19ALDH1A1CYP3A4CYP2C9TGM2
SCHEMBL718425 0.76 KIF11 (0.36) CYP2C19ALDH1A1CYP3A4CYP2C9KIF11
SCHEMBL285727 0.71 THRB (0.50) CYP2C19ALDH1A1CYP3A4CYP2C9KIF11
SCHEMBL717492 0.70 CYP2C19 (0.43) CYP2C19ALDH1A1CYP3A4CYP2C9TGM2
SCHEMBL285398 0.69 THRB (0.48) CYP2C19ALDH1A1CYP3A4CYP2C9KIF11
SCHEMBL718737 0.69 CYP2C19 (0.37) CYP2C19ALDH1A1CYP3A4CYP2C9KIF11

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729203-B2 Polymer composition CONTAMAC LIMITED (GB) 2014-05-20 US disclosed
EP-2427509-A1 POLYMER COMPOSITION Contamac Limited (GB) 2012-03-14 EP disclosed
US-20120053313-A1 POLYMER COMPOSITION CONTAMAC LIMITED (GB) 2012-03-01 US disclosed
WO-2010128266-A1 POLYMER COMPOSITION CONTAMAC LIMITED (GB) 2010-11-11 WO 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 CYP2C19 1029/4885ALDH1A1 3560/4885CYP3A4 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.