SCHEMBL5628818

SCHEMBL5628818

CC(C)(C)OC(=O)CCNC(=O)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.54
▸ TSHR P16473 1/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ MAOB P27338 1/20 0.54
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ BLM P54132 1/20 0.53
▸ PMP22 Q01453 1/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ FABP2 P12104 1/20 0.50
▸ PPARG P37231 1/20 0.50
▸ PPARD Q03181 1/20 0.50
▸ PPARA Q07869 1/20 0.50
▸ HDAC3 O15379 1/20 0.49
▸ HDAC4 P56524 1/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC7 Q8WUI4 1/20 0.49

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
SCHEMBL2268285 0.87 ESRRG (0.54) CYP1A2NFKB1MEN1KMT2ABLM
SCHEMBL2644738 0.87 PRSS1 (0.50) NFKB1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL13605086 0.87 RAB9A (0.57) NFKB1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL18897013 0.87 NPC1 (0.56) MEN1KMT2ASMN1; SMN2NPC1CYP2C19
SCHEMBL14054306 0.85 NPC1 (0.52) CYP1A2NFKB1MEN1KMT2ASMN1; SMN2
SCHEMBL8352922 0.85 L3MBTL1 (0.54) MEN1KMT2ANPC1HDAC6PRSS1
SCHEMBL22702327 0.85 ESRRG (0.55) TSHRNFKB1MEN1KMT2ABLM
SCHEMBL2667065 0.85 PRSS1 (0.49) CYP1A2NFKB1MEN1KMT2ASMN1; SMN2
SCHEMBL27453159 0.85 PRSS1 (0.69) CYP1A2SMN1; SMN2NPC1CYP2C19PRSS1
SCHEMBL2669817 0.84 GCGR (0.46) CYP1A2TSHRNFKB1MAOBMEN1

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
US-20070179122-A1 Beta-Aminoacid-Derivatives As Factor Xa Inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-02 — — US disclosed
CN-1926148-A Beta-aminoacid-derivatives as factor Xa inhibitors SANOFI AVENTIS DEUTSCHLAND (DE) 2007-03-07 — — CN disclosed
EP-1723164-A1 BETA-AMINOACID-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-11-22 — — EP disclosed
WO-2005095440-A1 BETA-AMINOACID-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-10-13 — — WO disclosed
EP-1571154-A1 Beta-aminoacid-derivatives as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2005-09-07 — — EP 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-20070179122-A1 Beta-Aminoacid-Derivatives As Factor Xa Inhibitors F12, F11, F5 CYP1A2 1263/4885TSHR 520/4885NFKB1 749/4885

“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.

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