SCHEMBL5445247

SCHEMBL5445247

CN(CCN1CCS(O)(O)CC1)CC(CNC(=O)c1ccc(Cl)s1)NC(=O)c1ccc(N2CCCCC2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.48
F2 P00734 5/20 0.48
F9 P00740 2/20 0.42
PLG P00747 2/20 0.42
PLAT P00750 2/20 0.42
KLKB1 P03952 2/20 0.42
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.41
PRMT5 O14744 1/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
CYP1A2 P05177 1/20 0.39

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
SCHEMBL5442773 0.97 F10 (0.48) F10F2F9PLGPLAT
SCHEMBL5445250 0.94 F10 (0.48) F10F2F9PLGPLAT
SCHEMBL5442768 0.92 F10 (0.48) F10F2F9PLGPLAT
SCHEMBL5430468 0.91 F10 (0.51) F10F2F9PLGPLAT
SCHEMBL5433409 0.91 F10 (0.49) F10F2ALDH1A1
SCHEMBL5431456 0.88 F10 (0.53) F10F2F9PLGPLAT
SCHEMBL5428392 0.88 F10 (0.49) F10F2RAB9AALDH1A1HPGD
SCHEMBL5438923 0.86 F10 (0.49) F10F2F9PLGPLAT
SCHEMBL5440465 0.86 F10 (0.57) F10F2RAB9AALDH1A1HPGD
SCHEMBL5438608 0.85 F10 (0.60) F10F2

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 6/4885F9 59/4885

“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.