SCHEMBL4677566

SCHEMBL4677566

CC[C@@H](N)C(=O)NNC(=O)NCc1ccccc1Sc1ccccc1CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK14 Q16539 1/20 0.39
SLC6A4 P31645 4/20 0.39
SLC6A2 P23975 3/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
RECQL P46063 2/20 0.38
KDM4E B2RXH2 1/20 0.38
G6PD P11413 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
CCR6 P51684 1/20 0.38
MCL1 Q07820 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4677842 1.00 CYP2C9 (0.44) CYP2C9CYP2C19CYP3A4MAPK14SLC6A4
SCHEMBL4677444 0.88 LMNA (0.42) MAPK14ALDH1A1MAPTHPGDL3MBTL1
SCHEMBL4680722 0.88 LMNA (0.42) MAPK14ALDH1A1MAPTHPGDL3MBTL1
SCHEMBL4677631 0.81 MEN1 (0.53) MAPTCA2
SCHEMBL4678271 0.81 MEN1 (0.53) MAPTCA2
SCHEMBL4677836 0.81 TPH1 (0.46) CYP3A4ALDH1A1MAPTCYP2D6CTSC
SCHEMBL4680712 0.81 TPH1 (0.46) CYP3A4ALDH1A1MAPTCYP2D6CTSC
SCHEMBL4676430 0.80 ANPEP (0.52) ALDH1A1MAPTLMNASMN1; SMN2CTSC
SCHEMBL4677405 0.80 ALDH1A1 (0.60) ALDH1A1NPC1RAB9A
SCHEMBL4676452 0.80 ANPEP (0.52) ALDH1A1MAPTLMNASMN1; SMN2CTSC

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-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-1633702-A1 PROTEASE INHIBITORS Prozymex A/S (DK) 2006-03-15 EP claimed
WO-2004106289-A1 PROTEASE INHIBITORS PROZYMEX A/S (DK) 2004-12-09 WO 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
EP-1633702-A1 PROTEASE INHIBITORS Prozymex A/S (DK) 2006-03-15 EP disclosed
WO-2004106289-A1 PROTEASE INHIBITORS PROZYMEX A/S (DK) 2004-12-09 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 (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 CYP2C9 2531/4885CYP2C19 2046/4885CYP3A4 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.