SCHEMBL6777217

SCHEMBL6777217

C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2CCCCC2)[C@]1(C(=O)O)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
CTSK P43235 2/20 0.35
CTSS P25774 1/20 0.35
CTSL P07711 3/20 0.34
ELANE P08246 2/20 0.34
CTSB P07858 1/20 0.34
ITGB3 P05106 7/20 0.33
ITGA2B P08514 7/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
TSHR P16473 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL6778071 0.77 KMT2A (0.38) KMT2ACTSKCTSSCTSLCTSB
SCHEMBL18212488 0.68 KMT2A (0.46) KMT2ACTSKCTSSCTSLELANE
SCHEMBL28654081 0.68 KMT2A (0.46) KMT2ACTSKCTSSCTSLELANE
SCHEMBL5435526 0.67 CTSK (0.49) KMT2ACTSKCTSLCTSBITGB3
SCHEMBL5451133 0.67 CTSK (0.49) KMT2ACTSKCTSLCTSBITGB3
SCHEMBL4766548 0.67 CTSK (0.49) KMT2ACTSKCTSLCTSBITGB3
Cyclopentane SCHEMBL28225777 0.66 KMT2A (0.48) KMT2ACTSKCTSSCTSLCTSB
SCHEMBL9358329 0.66 KMT2A (0.49) KMT2ACTSKCTSSITGB3ITGA2B
SCHEMBL9358337 0.66 KMT2A (0.49) KMT2ACTSKCTSSITGB3ITGA2B
SCHEMBL5364563 0.65 ACE (0.55) KMT2AELANE

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-6774110-B2 ANTITHROMBOTIC ACTIVITY AND HIGH ORAL BIOAVAILABILITY; E.G. N-AMINOSULFONYL-D-DIPHENYLALANYL-L-PROLYL-((4-AMIDINOPHENYL)METHYL)AMIDE LG LIFE SCIENCES LTD. (KR) 2004-08-10 US disclosed
US-20020169113-A1 Orally available peptidic thrombin inhibitors LG LIFE SCIENCES LTD. (KR) 2002-11-14 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-20020169113-A1 Orally available peptidic thrombin inhibitors F2, SERPINC1, TFPI KMT2A 4314/4885CTSK 556/4885CTSS 594/4885

“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.