SCHEMBL3554783

SCHEMBL3554783

NC(=O)C1CC(C(=O)Nc2ccc(N3CCOCC3=O)cc2F)CC1O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.53
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
MTOR P42345 1/20 0.39
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL3549307 1.00 F10 (0.53) F10JAK2JAK1TYK2JAK3
SCHEMBL3549314 0.89 F10 (0.53) F10JAK2JAK1TYK2JAK3
SCHEMBL3556991 0.88 F10 (0.43) F10JAK2JAK1TYK2JAK3
SCHEMBL3554786 0.86 F10 (0.51) F10JAK2JAK1TYK2JAK3
SCHEMBL3554089 0.86 F10 (0.49) F10TYK2ATML3MBTL1MAOB
SCHEMBL3557809 0.84 F10 (0.53) F10
SCHEMBL3550961 0.84 F10 (0.53) F10
SCHEMBL3556712 0.83 F10 (0.46) F10MTOR
SCHEMBL3542212 0.78 F10 (0.49) F10
SCHEMBL13436054 0.78 F10 (0.57) F10

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 claimed
US-20070049587-A1 Factor Xa inhibitors HOFFMANN-LA ROCHE INC. 2007-03-01 US claimed
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

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 3/4885JAK2 1139/4885JAK1 1587/4885

“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.