SCHEMBL2986836

SCHEMBL2986836

O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2Cl)C(=O)O1)c1ccc(Cl)s1

nearest known ligand 0.82

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.82
ABCB11 O95342 1/20 0.82
F2 P00734 1/20 0.82
ST14 Q9Y5Y6 1/20 0.82
CYP3A4 P08684 2/20 0.66
CYP2C9 P11712 2/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C19 P33261 1/20 0.66
CYP2C8 P10632 1/20 0.65
KCNH2 Q12809 1/20 0.65

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
SCHEMBL77782 0.97 F10 (0.86) F10ABCB11F2ST14CYP3A4
SCHEMBL2188917 0.92 F10 (0.94) F10ABCB11F2ST14
Rivaroxaban SCHEMBL7721848 0.90 F10 (1.00) F10ABCB11F2ST14CYP3A4
Rivaroxaban SCHEMBL77766 0.90 F10 (1.00) F10ABCB11F2ST14CYP3A4
Rivaroxaban SCHEMBL3914 0.90 F10 (1.00) F10ABCB11F2ST14CYP3A4
Rivaroxaban SCHEMBL14796329 0.90 F10 (0.98) F10ABCB11F2ST14CYP3A4
SCHEMBL79087 0.89 F10 (0.85) F10ABCB11F2ST14CYP3A4
SCHEMBL79766 0.89 F10 (1.00) F10ABCB11F2ST14CYP3A4
SCHEMBL76791 0.89 F10 (1.00) F10ABCB11F2ST14
SCHEMBL7247311 0.89 F10 (1.00) F10ABCB11F2ST14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184767-A1 SUBSTITUTED OXAZOLIDINONES AND USE THEREOF ROHRIG SUSANNE 2010-07-22 US disclosed
US-20100184767-A1 SUBSTITUTED OXAZOLIDINONES AND USE THEREOF ROHRIG SUSANNE 2010-07-22 US disclosed
US-20100184767-A1 SUBSTITUTED OXAZOLIDINONES AND USE THEREOF ROHRIG SUSANNE 2010-07-22 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-20100184767-A1 SUBSTITUTED OXAZOLIDINONES AND USE THEREOF XDH, OXA1L, PPOX F10 391/4885ABCB11 725/4885F2 39/4885

“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.