SCHEMBL5433432

SCHEMBL5433432

O=C(N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)O)c1ccc(N2CCCCC2=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.61
F2 P00734 5/20 0.61
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
MAPT P10636 1/20 0.48
F9 P00740 2/20 0.47
PLG P00747 2/20 0.47
PLAT P00750 2/20 0.47
KLKB1 P03952 2/20 0.47
PRSS1 P07477 2/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47

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
SCHEMBL5433428 1.00 F10 (0.61) F10F2RAB9AALDH1A1HPGD
SCHEMBL5433528 0.96 F10 (0.61) F10F2RAB9AALDH1A1HPGD
SCHEMBL5433530 0.96 F10 (0.61) F10F2RAB9AALDH1A1HPGD
SCHEMBL5446792 0.90 F10 (0.58) F10F2RAB9AALDH1A1HPGD
SCHEMBL5446790 0.90 F10 (0.58) F10F2RAB9AALDH1A1HPGD
SCHEMBL5437158 0.88 F10 (0.64) F10F2RAB9AALDH1A1HPGD
SCHEMBL5430538 0.87 F10 (0.59) F10F2RAB9AALDH1A1HPGD
SCHEMBL5439118 0.86 F10 (0.58) F10F2RAB9AALDH1A1HPGD
SCHEMBL5436928 0.86 F10 (0.60) F10F2RAB9AALDH1A1HPGD
SCHEMBL5432999 0.86 F10 (0.60) F10F2RAB9AALDH1A1HPGD

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-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-07 US claimed
US-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-07 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-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS PEPD, XPNPEP1, METAP1 F10 46/4885F2 6/4885RAB9A 2047/4885

“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.