SCHEMBL3556712

SCHEMBL3556712

NC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(N3CCOCC3=O)c(F)c2)C[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.46
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
KDR P35968 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HTT P42858 1/20 0.37
MTOR P42345 2/20 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
SCHEMBL3542212 0.89 F10 (0.49) F10
SCHEMBL3556721 0.89 F10 (0.47) F10MEN1MAPTKMT2AKDR
SCHEMBL3557809 0.84 F10 (0.53) F10MAPTALDH1A1KDM4ERXFP1
SCHEMBL3550961 0.84 F10 (0.53) F10MAPTALDH1A1KDM4ERXFP1
SCHEMBL3554783 0.83 F10 (0.53) F10MTOR
SCHEMBL3549307 0.83 F10 (0.53) F10MTOR
SCHEMBL13436081 0.78 F10 (0.59) F10
SCHEMBL3542214 0.77 F10 (0.51) F10
SCHEMBL5627481 0.76 F10 (0.55) F10MEN1MAPTKMT2AKDR
SCHEMBL5626752 0.76 F10 (0.55) F10MEN1MAPTKMT2AKDR

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 2 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-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 3/4885MEN1 680/4885MAPT 4834/4885

“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.