SCHEMBL7090829

SCHEMBL7090829

CCOC(=O)[C@](C#N)(CC1CCCCCCC1)NC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.40
KDM4E B2RXH2 1/20 0.40
THRB P10828 2/20 0.39
HTT P42858 1/20 0.38
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 4/20 0.34
RECQL P46063 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSH P09668 1/20 0.34
METAP2 P50579 1/20 0.34
CTSK P43235 3/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL12733099 0.79 PKM (0.57) PKMKDM4ETHRBHTTMAPT
SCHEMBL6871340 0.79 PKM (0.57) PKMKDM4ETHRBHTTMAPT
SCHEMBL5891307 0.76 PKM (0.50) PKMKDM4ETHRBHTTMAPT
SCHEMBL28961728 0.75 PKM (0.58) PKMKDM4ETHRBHTTMAPT
SCHEMBL5891385 0.74 PKM (0.43) PKMKDM4ETHRBHTTMAPT
SCHEMBL15145002 0.71 PKM (0.62) PKMKDM4ETHRBHTTMAPT
SCHEMBL15974322 0.70 MMP8 (0.37) PKMKDM4ETHRBMAPTMEN1
SCHEMBL27784023 0.70 PKM (0.47) PKMKDM4ETHRBHTTMAPT
SCHEMBL15468407 0.69 ALDH1A1 (0.40) KDM4ETHRBMAPTMEN1KMT2A
SCHEMBL3284442 0.69 ALDH1A1 (0.42) THRBHTTMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0858464-B1 THROMBIN INHIBITORS AKZO NOBEL NV (NL) 2003-05-07 EP disclosed
US-20020142967-A1 Thrombin inhibitors ADANG A E P (NL) 2002-10-03 US disclosed
US-6432921-B2 OLIGOPEPTIDES AKZO NOBEL N.V. (NL) 2002-08-13 US disclosed
US-20010007764-A1 THROMBIN INHIBITORS N.V. ORGANON (NL) 2001-07-12 US disclosed
US-6218365-B1 FOR TREATING OR PREVENTING A THROMBIN-RELATED DISEASE AKZO NOBEL N.V. (NL) 2001-04-17 US disclosed
EP-1012164-A1 SERINE PROTEASE INHIBITORS Akzo Nobel N.V. (NL) 2000-06-28 EP disclosed
EP-0858464-A1 THROMBIN INHIBITORS Akzo Nobel N.V. (NL) 1998-08-19 EP disclosed
WO-1997031939-A1 SERINE PROTEASE INHIBITORS AKZO NOBEL N.V. (NL) 1997-09-04 WO disclosed
WO-1997017363-A1 THROMBIN INHIBITORS AKZO NOBEL N.V. (NL) 1997-05-15 WO 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 (2 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-20020142967-A1 Thrombin inhibitors SERPINC1, DAO, CTRL PKM 4517/4885KDM4E 3463/4885THRB 86/4885
US-20010007764-A1 THROMBIN INHIBITORS SERPINC1, DAO, F2 PKM 3909/4885KDM4E 3147/4885THRB 103/4885

“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.