SCHEMBL4283606

SCHEMBL4283606

Cc1ccc(C(=O)NC[C@H]2CN(c3ccc(C#N)cc3)C(=O)O2)s1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.71
CYP1A2 P05177 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69

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
SCHEMBL13262729 0.88 F10 (0.71) F10
SCHEMBL4276725 0.88 F10 (0.76) F10
SCHEMBL87235 0.83 F10 (1.00) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14604832 0.83 F10 (0.81) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL78728 0.83 F10 (1.00) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL27870562 0.82 F10 (0.69) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL27870561 0.82 F10 (0.69) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL78030 0.82 F10 (1.00) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4363365 0.82 F10 (1.00) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4761646 0.81 F10 (0.72) F10CYP1A2CYP3A4CYP2D6CYP2C9

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-20120108808-A1 METHOD FOR PREPARING (S)-5-CHLORO-N-((3-(4-(5,6-DIHYDRO-4H-1,2,4-OXADIAZIN-3-YL)PHENYL)-2-OXOOXAZOLIDIN-5-YL)METHYL)THIOPHENE-2-CARBOXAMIDE DERIVATIVES LEGOCHEM BIOSCIENCE LTD. (KR) 2012-05-03 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-20120108808-A1 METHOD FOR PREPARING (S)-5-CHLORO-N-((3-(4-(5,6-DIHYDRO-4H-1,2,4-OXADIAZIN-3-YL)PHENYL)-2-OXOOXAZOLIDIN-5-YL)METHYL)THIOPHENE-2-CARBOXAMIDE DERIVATIVES F2, F11, F5 F10 15/4885CYP1A2 71/4885CYP3A4 68/4885

“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.