SCHEMBL3398331

SCHEMBL3398331

COCC(O)COCC(=O)N1CCN(c2ccc(N3C[C@H](CNC(O)=S)OC3=O)cc2F)CC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.55
MAOB P27338 8/20 0.54
MAOA P21397 4/20 0.54
PTGS1 P23219 2/20 0.54
SDHA P31040 2/20 0.54
LMNA P02545 1/20 0.54
CALML3 P27482 1/20 0.54

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
SCHEMBL3397503 0.94 F10 (0.57) F10MAOBMAOAPTGS1SDHA
SCHEMBL3394637 0.92 F10 (0.59) F10MAOBMAOAPTGS1SDHA
SCHEMBL3392624 0.87 F10 (0.57) F10MAOBMAOAPTGS1SDHA
Hydrochloric Acid SCHEMBL3397355 0.85 MAOB (0.56) F10MAOBMAOAPTGS1SDHA
SCHEMBL3397497 0.85 F10 (0.57) F10MAOBMAOAPTGS1SDHA
SCHEMBL7710201 0.85 F10 (0.62) F10MAOBMAOAPTGS1SDHA
SCHEMBL7710198 0.85 F10 (0.62) F10MAOBMAOAPTGS1SDHA
SCHEMBL7709919 0.85 MAOB (0.64) F10MAOBMAOAPTGS1SDHA
SCHEMBL7709914 0.85 MAOB (0.64) F10MAOBMAOAPTGS1SDHA
SCHEMBL7712749 0.84 F10 (0.56) F10MAOBMAOAPTGS1SDHA

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-20100234390-A1 NOVEL COMPOUND AND THEIR USE ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-09-16 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-20100234390-A1 NOVEL COMPOUND AND THEIR USE HTRA1, PRSS1, PRNP F10 3863/4885MAOB 2054/4885MAOA 2174/4885

“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.