SCHEMBL6477216

SCHEMBL6477216

COC(=O)NC(=N)c1ccc(CNC(=O)[C@H]2CCCN2C(=O)CNC2CCCCC2)cn1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
F2 P00734 14/20 0.44
PKM P14618 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
F10 P00742 1/20 0.40
PLG P00747 1/20 0.40
PLAT P00750 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
PPIB P23284 1/20 0.40
FAP Q12884 1/20 0.40
NPC1 O15118 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
SCHEMBL6476398 0.87 F2 (0.51) ALDH1A1F2F10PLGPLAT
SCHEMBL6487234 0.84 F2 (0.52) ALDH1A1F2F10PLGPLAT
SCHEMBL6477306 0.80 ALDH1A1 (0.48) ALDH1A1F2PKMCYP3A4CYP2C9
SCHEMBL23752608 0.78 F2 (0.69) ALDH1A1F2
SCHEMBL21067875 0.78 F2 (0.69) ALDH1A1F2
SCHEMBL21067877 0.78 F2 (0.69) ALDH1A1F2
SCHEMBL23752337 0.78 F2 (0.69) ALDH1A1F2
SCHEMBL6477042 0.77 ALDH1A1 (0.51) ALDH1A1F2PKMCYP3A4CYP2C19
SCHEMBL21067838 0.77 F2 (0.71) ALDH1A1F2
SCHEMBL21067839 0.77 F2 (0.71) ALDH1A1F2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900319-B2 Thrombin inhibitors ABBOTT GMBH & CO. KG (DE) 2005-05-31 US disclosed
US-20020169318-A1 Novel thrombin inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2002-11-14 US disclosed
US-6444817-B1 ANTICOAGULANTS ABBOTT LABORATORIES 2002-09-03 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-20020169318-A1 Novel thrombin inhibitors TFPI, SERPINC1, F11 ALDH1A1 925/4885F2 5/4885PKM 4531/4885

“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.