SCHEMBL6554460

SCHEMBL6554460

Cc1cc(C(=O)NCc2cc(C#N)ccc2OCc2ccccc2)ccc1N(C(=O)CNC(=O)OCc1ccccc1)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CYP19A1 P11511 1/20 0.39
PPARG P37231 3/20 0.38
PPARD Q03181 2/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
EPHX2 P34913 1/20 0.37
PREP P48147 2/20 0.36
TRPM8 Q7Z2W7 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PPARA Q07869 1/20 0.35
PTGER1 P34995 1/20 0.35
TAOK1 Q7L7X3 1/20 0.35
TAOK3 Q9H2K8 1/20 0.35

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
SCHEMBL6554696 0.89 PPARG (0.41) CYP19A1PPARGPPARDMRGPRX4EPHX2
SCHEMBL7557798 0.80 ALDH1A1 (0.47) CTSLCTSBCTSSCTSKPREP
SCHEMBL6554509 0.79 EPHX2 (0.46) PPARGPPARDMRGPRX4EPHX2
SCHEMBL6554457 0.78 CTSL (0.39) CTSLCTSBCTSSCTSKCYP19A1
SCHEMBL6554549 0.75 SLC6A9 (0.46) PPARGPPARDMRGPRX4PPARAPTGER1
Hydrochloric Acid SCHEMBL6554810 0.74 SLC6A9 (0.45) PPARGPPARDMRGPRX4PPARAPTGER1
SCHEMBL6321536 0.70 MRGPRX4 (0.38) MRGPRX4TRPM8LMNAHTTPTGER1
SCHEMBL6555922 0.69 HTR6 (0.44) MRGPRX4PTGER1
SCHEMBL6554651 0.68 HPGD (0.45) PPARGPPARDMRGPRX4MAPTNPSR1
SCHEMBL15873799 0.67 CTSL (0.47) CTSLCTSBCTSSCTSKMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390357-A2 ANTI-THROMBOTIC COMPOUNDS, PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2004-02-25 EP disclosed
US-20020151534-A1 Antithrombotic compounds BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-17 US disclosed
WO-2002062778-A2 ANTI-THROMBOTIC COMPOUNDS, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-15 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 (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-20020151534-A1 Antithrombotic compounds SERPINC1, PF4, F2 CTSL 2137/4885CTSB 3002/4885CTSS 3765/4885

“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.