SCHEMBL6778071

SCHEMBL6778071

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
CTSK P43235 2/20 0.37
CTSS P25774 1/20 0.37
ITGB3 P05106 8/20 0.36
ITGA2B P08514 8/20 0.36
CTSL P07711 3/20 0.35
CTSB P07858 1/20 0.35
CA12 O43570 1/20 0.34
CA14 Q9ULX7 1/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL5900915 0.81 MEN1 (0.44) KMT2ACTSKCTSSITGB3ITGA2B
SCHEMBL8604933 0.80 GRIN2B (0.30)
SCHEMBL6777217 0.77 KMT2A (0.36) KMT2ACTSKCTSSITGB3ITGA2B
SCHEMBL7378319 0.76 DPP4 (0.36)
Hydrochloric Acid SCHEMBL6338693 0.75 DPP4 (0.35)
SCHEMBL5901089 0.75 EPHX1 (0.33)
SCHEMBL9704275 0.74 CTSL (0.49) KMT2AITGB3ITGA2BCTSL
SCHEMBL9703231 0.74 CTSL (0.49) KMT2AITGB3ITGA2BCTSL
SCHEMBL5900918 0.74 MEN1 (0.45) KMT2ACTSKCTSSITGB3ITGA2B
SCHEMBL7442132 0.73 HTR2C (0.33) CTSSCTSLCTSB

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.