SCHEMBL4680712

SCHEMBL4680712

CC[C@@H](N)C(=O)NNC(=O)NCc1ccccc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 2/20 0.46
LIPG Q9Y5X9 1/20 0.44
MME P08473 1/20 0.42
ACE P12821 1/20 0.42
CPA1 P15085 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
KMT2A Q03164 1/20 0.41
CTSC P53634 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CTSH P09668 1/20 0.40
CYP2D6 P10635 1/20 0.40
CTSK P43235 1/20 0.40
KCNQ2 O43526 1/20 0.40
MAPT P10636 1/20 0.40
FABP7 O15540 1/20 0.39
FABP3 P05413 1/20 0.39
FABP5 Q01469 1/20 0.39
ADAMTS4 O75173 1/20 0.39
ADAMTS5 Q9UNA0 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
SCHEMBL4677836 1.00 TPH1 (0.46) TPH1LIPGMMEACECPA1
SCHEMBL4677992 0.82 CYP1A2 (0.53) KMT2ACTSCCYP1A2CYP3A4CTSH
SCHEMBL4676557 0.82 CYP1A2 (0.53) KMT2ACTSCCYP1A2CYP3A4CTSH
SCHEMBL4676452 0.82 ANPEP (0.52) KMT2ACTSCMAPTALDH1A1
SCHEMBL4677405 0.82 ALDH1A1 (0.60) KMT2AALDH1A1
SCHEMBL4676430 0.82 ANPEP (0.52) KMT2ACTSCMAPTALDH1A1
SCHEMBL4678494 0.82 ALDH1A1 (0.60) KMT2AALDH1A1
SCHEMBL4677566 0.81 CYP2C9 (0.44) CTSCCYP3A4CYP2D6MAPTALDH1A1
SCHEMBL4677842 0.81 CYP2C9 (0.44) CTSCCYP3A4CYP2D6MAPTALDH1A1
SCHEMBL4680722 0.80 LMNA (0.42) KMT2ACTSCMAPTALDH1A1

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 TPH1 3273/4885LIPG 701/4885MME 60/4885

“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.