SCHEMBL285489

SCHEMBL285489

C=CC(=O)NCCCSC(C)(C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 6/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GAA P10253 2/20 0.43
CYP2C19 P33261 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
EGFR P00533 1/20 0.37
HIF1A Q16665 1/20 0.37
TAAR1 Q96RJ0 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
SCHEMBL719426 0.96 TGM2 (0.48) TGM2NPC1RAB9AGAACYP2C19
SCHEMBL721004 0.92 NPC1 (0.52) TGM2NPC1RAB9AGAACYP2C19
SCHEMBL285278 0.81 POLB (0.40) NPC1RAB9ACYP2C19ALDH1A1CYP2C9
SCHEMBL718016 0.81 NPC1 (0.52) TGM2NPC1RAB9AGAACYP2C19
SCHEMBL720802 0.78 ALDH1A1 (0.49) TGM2NPC1RAB9ACYP2C19ALDH1A1
SCHEMBL12285572 0.78 ZDHHC20 (0.53) TGM2NPC1RAB9AGAAALDH1A1
SCHEMBL718250 0.77 POLB (0.40) NPC1RAB9ACYP2C19ALDH1A1KMT2A
SCHEMBL300158 0.77 CYP2C19 (0.42) TGM2NPC1RAB9ACYP2C19ALDH1A1
SCHEMBL5666943 0.77 NPC1 (0.48) TGM2NPC1RAB9ACYP2C19ALDH1A1
Hydrochloric Acid SCHEMBL8863135 0.77 TGM2 (0.47) TGM2NPC1RAB9AGAACYP2C19

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 TGM2 3099/4885NPC1 4414/4885RAB9A 3204/4885

“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.