SCHEMBL3545702

SCHEMBL3545702

O=C(N[C@H]1C[C@@H](C(=O)O)C[C@@H]1O)c1ccc(Cl)s1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 16/20 0.57
▸ DAO P14920 1/20 0.42
▸ F2 P00734 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3553304 0.86 F10 (0.59) F10F2MEN1KMT2A
SCHEMBL3548699 0.86 F10 (0.59) F10F2MEN1KMT2A
SCHEMBL8259245 0.76 F10 (0.55) F10F2MEN1GAAHTT
SCHEMBL13461888 0.76 F10 (0.55) F10F2MEN1GAAHTT
SCHEMBL3308826 0.75 F10 (0.49) F10F2
SCHEMBL3308832 0.75 F10 (0.49) F10F2
SCHEMBL5432629 0.74 F10 (1.00) F10F2
SCHEMBL13436058 0.73 F10 (0.67) F10F2
SCHEMBL5432224 0.73 F10 (0.57) F10DAOF2
SCHEMBL3551408 0.73 F10 (0.59) F10F2MEN1KMT2A

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-7678917-B2 Factor Xa inhibitors HOFFMAN-LA ROCHE INC. (US) 2010-03-16 — — US disclosed
US-7678917-B2 Factor Xa inhibitors HOFFMAN-LA ROCHE INC. (US) 2010-03-16 — — US disclosed
US-20070049587-A1 Factor Xa inhibitors HOFFMANN-LA ROCHE INC. 2007-03-01 — — US disclosed
US-20070049587-A1 Factor Xa inhibitors HOFFMANN-LA ROCHE INC. 2007-03-01 — — 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-20070049587-A1 Factor Xa inhibitors F12, F11, F10 F10 3/4885DAO 1407/4885F2 4/4885

“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.

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