SCHEMBL3554089

SCHEMBL3554089

NC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(N3CCCC3=O)cc2F)C[C@@H]1O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.49
GAA P10253 1/20 0.40
TYK2 P29597 2/20 0.40
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
PDK2 Q15119 1/20 0.37
KMT2A Q03164 2/20 0.37
PARP1 P09874 2/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL3554092 0.88 F10 (0.48) F10GAATYK2NPC1ALDH1A1
SCHEMBL3554783 0.86 F10 (0.53) F10TYK2ATML3MBTL1MAOB
SCHEMBL3549307 0.86 F10 (0.53) F10TYK2ATML3MBTL1MAOB
SCHEMBL3550968 0.79 F10 (0.55) F10
SCHEMBL3546803 0.79 F10 (0.55) F10
SCHEMBL3551712 0.79 F10 (0.55) F10
SCHEMBL3553670 0.79 F10 (0.55) F10
SCHEMBL3551733 0.79 F10 (0.55) F10
SCHEMBL3552709 0.79 F10 (0.55) F10
SCHEMBL3551715 0.79 F10 (0.55) 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 3/4885GAA 965/4885TYK2 2204/4885

“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.