SCHEMBL4680502

SCHEMBL4680502

CC[C@@H](N)C(=O)NNC(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1cccc(F)c1)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 4/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CTSH P09668 1/20 0.46
CYP2D6 P10635 1/20 0.46
CTSK P43235 1/20 0.46
CTSC P53634 1/20 0.46
FCER2 P06734 2/20 0.46
MMP3 P08254 1/20 0.46
MMP9 P14780 1/20 0.46
HPGDS O60760 2/20 0.46
ACE P12821 2/20 0.44
PTPN1 P18031 1/20 0.44
GHSR Q92847 1/20 0.43
GPR34 Q9UPC5 1/20 0.42
MME P08473 1/20 0.42
CPA1 P15085 1/20 0.42
ACE2 Q9BYF1 1/20 0.42

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
SCHEMBL4680362 1.00 KISS1R (0.47) KISS1RCYP1A2CYP3A4CTSHCYP2D6
SCHEMBL4678251 0.90 FCER2 (0.49) KISS1RFCER2MMP3MMP9ACE
SCHEMBL4683247 0.90 FCER2 (0.49) KISS1RFCER2MMP3MMP9ACE
SCHEMBL4676548 0.89 KISS1R (0.49) KISS1RCTSCFCER2MMP3MMP9
SCHEMBL4675732 0.89 KISS1R (0.49) KISS1RCTSCFCER2MMP3MMP9
SCHEMBL4680727 0.88 ACE (0.53) KISS1RCYP1A2CYP3A4CTSHCYP2D6
SCHEMBL4681464 0.88 ACE (0.53) KISS1RCYP1A2CYP3A4CTSHCYP2D6
SCHEMBL4676288 0.84 GHSR (0.59) KISS1RGHSR
SCHEMBL4678748 0.84 GHSR (0.59) KISS1RGHSR
SCHEMBL4676390 0.81 KISS1R (0.47) KISS1RMMP3HPGDSGHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633702-B1 PROTEASE INHIBITORS PROZYMEX AS (DK) 2008-07-02 EP claimed
US-20070155803-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-07-05 US claimed
EP-1975153-A2 Protease inhibitors Prozymex A/S (DK) 2008-10-01 EP disclosed
EP-1633702-B1 PROTEASE INHIBITORS PROZYMEX AS (DK) 2008-07-02 EP disclosed
US-20070155803-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-07-05 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-20070155803-A1 Protease inhibitors DPP7, DPP9, DPP3 KISS1R 1337/4885CYP1A2 3298/4885CYP3A4 3434/4885

“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.