SCHEMBL6554457

SCHEMBL6554457

Cc1cc(C(=O)NCc2cc(C#N)ccc2OCc2ccccc2)ccc1NC1(C(=O)CNC(=O)OCc2ccccc2)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.39
CTSB P07858 2/20 0.39
CTSS P25774 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
PPARG P37231 2/20 0.37
PPARD Q03181 2/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
BRD4 O60885 6/20 0.36
PPARA Q07869 1/20 0.36
PTGER1 P34995 1/20 0.36
CYP19A1 P11511 1/20 0.34
CTSK P43235 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34

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
SCHEMBL6554915 0.80 CTSB (0.45) CTSLCTSBCTSSCTSK
SCHEMBL6554509 0.79 EPHX2 (0.46) MRGPRX4PPARGPPARDBRD4
SCHEMBL6554460 0.78 CTSL (0.39) CTSLCTSBCTSSMRGPRX4PPARG
SCHEMBL6554549 0.75 SLC6A9 (0.46) MRGPRX4PPARGPPARDPPARAPTGER1
Hydrochloric Acid SCHEMBL6554810 0.74 SLC6A9 (0.45) MRGPRX4PPARGPPARDPPARAPTGER1
SCHEMBL6554696 0.70 PPARG (0.41) MRGPRX4PPARGPPARDPPARACYP19A1
SCHEMBL6554651 0.68 HPGD (0.45) MRGPRX4PPARGPPARDPTGER1
SCHEMBL15873799 0.68 CTSL (0.47) CTSLCTSBCTSSMRGPRX4CTSK
SCHEMBL6937053 0.68 PPARD (0.42) MRGPRX4PPARGPPARDPDCD1CD274
SCHEMBL6330920 0.68 MRGPRX4 (0.47) CTSLCTSBCTSSMRGPRX4PPARG

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.