SCHEMBL13634697

SCHEMBL13634697

CCC(C)(CC)c1ccc(OCC[S+](C)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.38
MAOB P27338 9/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CYP3A4 P08684 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
SCHEMBL13624062 0.85 KDM4E (0.49) HRH3SMN1; SMN2CYP3A4
SCHEMBL13930950 0.79 LTA4H (0.50) HRH3MAOBCYP3A4
SCHEMBL13930953 0.76 HRH3 (0.42) HRH3MAOBSMN1; SMN2CYP3A4
SCHEMBL13930848 0.76 HRH3 (0.43) HRH3MAOBSMN1; SMN2CYP3A4
SCHEMBL13461863 0.75 DRD2 (0.48)
SCHEMBL13930782 0.75 NQO1 (0.61) SMN1; SMN2
SCHEMBL12585293 0.73 KCNA3 (0.54)
SCHEMBL14934602 0.72 HRH3 (0.52) HRH3MAOB
SCHEMBL13930961 0.72 NFE2L2 (0.60) HRH3MAOB
SCHEMBL27813753 0.70 KDM4E (0.32) HRH3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF HRH3 2874/4885MAOB 3220/4885SMN1; SMN2 4525/4885

“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.