SCHEMBL1623874

SCHEMBL1623874

COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OC(C)=O)cc2)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ MDM2 Q00987 1/20 0.42
▸ CASP3 P42574 2/20 0.40
▸ FABP5 Q01469 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ MDM4 O15151 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NPSR1 Q6W5P4 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
SCHEMBL12555211 0.93 KMT2A (0.47) KMT2AMEN1MDM2CASP3FABP5
SCHEMBL9706968 0.91 KMT2A (0.45) KMT2AMEN1MDM2CASP3FABP5
SCHEMBL4395836 0.91 KMT2A (0.45) KMT2AMEN1MDM2CASP3FABP5
SCHEMBL8410923 0.91 KMT2A (0.45) KMT2AMEN1MDM2CASP3FABP5
SCHEMBL17192730 0.91 KMT2A (0.45) KMT2AMEN1MDM2CASP3FABP5
SCHEMBL12873284 0.90 LMNA (0.46) KMT2AMEN1MDM2CASP3FABP5
SCHEMBL14416300 0.89 KMT2A (0.42) KMT2AMEN1MDM2CASP3FABP5
SCHEMBL16316701 0.87 KMT2A (0.42) KMT2AMEN1MDM2CASP3FABP5
SCHEMBL1745934 0.87 KMT2A (0.45) KMT2AMEN1MDM2CASP3FABP5
SCHEMBL12588064 0.87 KMT2A (0.42) KMT2AMEN1MDM2CASP3FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928137-B2 Meta-benzamidine derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2011-04-19 — — US disclosed
US-20070155790-A1 Meta-benzamidine derivatives as serine protease inhibitors LIEBESCHUETZ JOHN W 2007-07-05 — — US disclosed
US-7220781-B2 Meta-benzamidine derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2007-05-22 — — US disclosed
EP-1192132-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2005-09-07 — — EP disclosed
EP-1009758-B1 META-BENZAMIDINE DERIVATIVES AS SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2005-06-01 — — EP disclosed
US-6855715-B1 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-02-15 — — US disclosed
US-20050032790-A1 For example, 1-(2-Amino-4-chlorobenzoyl-D-phenylglycinyl)-4,4'-bispiperidine; for treatment of thrombosis, emphysema, cirrhosis; antiarthritic agents, anticancer agents, antihistamines LIEBESCHUETZ JOHN WALTER (GB) 2005-02-10 — — US disclosed
US-20040143018-A1 Meta-benzamidine derivatives as serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-07-22 — — US disclosed
US-6740682-B2 TREATMENT OF THROMBOTIC DISEASES, ASTHMA, EMPHYSEMA, CIRRHOSIS, ARTHRITIS, CARCINOMA, MELANOMA, RESTENOIS, ATHEROMA, TRAUMA, SHOCK AND REPERFUSION INJURY. TULARIK LIMITED (GB) 2004-05-25 — — US disclosed
EP-1012166-B1 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2003-10-29 — — EP disclosed
US-6420438-B1 FOR THERAPY OF THROMBOTIC DISEASE, ASTHMA, EMPHYSEMA, CIRRHOSIS, ARTHRITIS, CARCINOMA, MELANOMA, RESTENOIS, ATHEROMA, TRAUMA, SHOCK AND REPERFUSION INJURY TULARIK LIMITED (GB) 2002-07-16 — — US disclosed
US-20020055522-A1 Meta-benzamidine derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2002-05-09 — — US disclosed
EP-0618219-B1 Procedure for obtaining carbocalcitonin LIPOTEC SA (ES) 2001-08-22 — — EP disclosed
US-6262069-B1 1-amino-7-isoquinoline derivatives as serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2001-07-17 — — US disclosed
EP-0606816-B1 Procedure for preparing salmon calcitonin LIPOTEC SA (ES) 1999-08-11 — — EP disclosed
US-5527881-A SOLID PHASE SYNTHESIS OF FRAGMENTS 1 AND 2 COMPRISING DODECAPEPTIDE AND DECAPEPTIDE, DEPROTECTION TREATMENT OF RESULTING PEPTIDE-RESIN, CLEAVAGE FROM RESIN LIPOTEC, S.A. (ES) 1996-06-18 — — US disclosed
EP-0618219-A1 Procedure for obtaining carbocalcitonin LIPOTEC, S.A. (ES) 1994-10-05 — — EP disclosed
EP-0606816-A1 Procedure for preparing salmon calcitonin LIPOTEC, S.A. (ES) 1994-07-20 — — 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 (4 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-20020055522-A1 Meta-benzamidine derivatives as serine protease inhibitors SERPINE1, PEPD, PRSS1 KMT2A 2473/4885MEN1 458/4885MDM2 1410/4885
US-20050032790-A1 For example, 1-(2-Amino-4-chlorobenzoyl-D-phenylglycinyl)-4,4'-bispiperidine; for treatment of thrombosis, emphysema, cirrhosis; antiarthritic agents, anticancer agents, antihistamines SERPINB1, SERPINE1, SERPINH1 KMT2A 2126/4885MEN1 3229/4885MDM2 1021/4885
US-20070155790-A1 Meta-benzamidine derivatives as serine protease inhibitors PEPD, SERPINE1, HPN KMT2A 1861/4885MEN1 482/4885MDM2 1039/4885
US-20040143018-A1 Meta-benzamidine derivatives as serine protease inhibitors SERPINE1, PEPD, PRSS1 KMT2A 2473/4885MEN1 458/4885MDM2 1410/4885

“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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