SCHEMBL3556784

SCHEMBL3556784

COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(Cl)s2)[C@@H](OC)C1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 16/20 0.59
▸ F2 P00734 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TSHR P16473 1/20 0.40

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
SCHEMBL3551408 1.00 F10 (0.59) F10F2KMT2ALMNAMAPK1
SCHEMBL3553304 0.88 F10 (0.59) F10F2KMT2ALMNAMAPK1
SCHEMBL3548699 0.88 F10 (0.59) F10F2KMT2ALMNAMAPK1
SCHEMBL3553423 0.87 F10 (0.55) F10F2KMT2ALMNAMAPK1
SCHEMBL3554161 0.83 F10 (0.56) F10F2KMT2ALMNAMAPK1
SCHEMBL13436096 0.83 F10 (0.56) F10F2KMT2ALMNAMAPK1
SCHEMBL3552201 0.81 F10 (0.46) F10MAPK1TSHR
SCHEMBL13436103 0.81 F10 (0.46) F10MAPK1TSHR
SCHEMBL3309272 0.80 F10 (0.51) F10F2KMT2ALMNAMAPK1
SCHEMBL3309265 0.80 F10 (0.51) F10F2KMT2ALMNAMAPK1

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 7 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-7678917-B2 Factor Xa inhibitors HOFFMAN-LA ROCHE INC. (US) 2010-03-16 — — US disclosed
WO-2007025949-A1 NOVEL CYCLOALKANE CARBOXAMIDES AS FACTOR XA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 — — WO 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
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 3/4885F2 4/4885KMT2A 2600/4885

“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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