SCHEMBL3965849

SCHEMBL3965849

COC(=O)C(CC(=O)O)Cc1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.58
▸ ESR2 Q92731 1/20 0.58
▸ MIF P14174 2/20 0.50
▸ CPA1 P15085 2/20 0.49
▸ CPB1 P15086 1/20 0.49
▸ CPA3 P15088 1/20 0.49
▸ CPB2 Q96IY4 1/20 0.49
▸ TSHR P16473 1/20 0.47
▸ MDM4 O15151 1/20 0.47
▸ MDM2 Q00987 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ LTA4H P09960 2/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ SLC7A5 Q01650 1/20 0.45

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
SCHEMBL901408 0.87 CPA1 (0.66) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL2398335 0.87 CPA1 (0.66) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL1914987 0.87 CPA1 (0.66) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL4607790 0.86 CPA1 (0.47) ESR1ESR2CPA1CPB1CPA3
SCHEMBL16798224 0.86 MMP2 (0.51) CPA1CPB1CPA3CPB2TSHR
SCHEMBL7365956 0.86 POLB (0.62) CPA1CPB1CPA3CPB2POLB
SCHEMBL3664929 0.86 KMT2A (0.59) CPA1CPB1CPA3CPB2POLB
SCHEMBL1912582 0.84 MMEL1 (0.60) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL3870170 0.83 ESR1 (0.61) ESR1ESR2MIFTSHRMDM4
SCHEMBL13078733 0.83 ESR1 (0.61) ESR1ESR2MIFTSHRMDM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 — — US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 — — US disclosed
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 — — EP disclosed
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2004-10-28 — — US disclosed
EP-1440976-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-28 — — EP disclosed
EP-0927192-B1 MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION BOEHRINGER INGELHEIM PHARMA (DE) 2004-05-12 — — EP disclosed
CN-1129605-C Modified aminoacids, pharmaceuticals containing these compounds and method for their prodn. THOMAE GMBH DR K (DE) 2003-12-03 — — CN disclosed
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2003-04-10 — — US disclosed
US-6344449-B1 HEADACHE AND MORPHINE DEPENDENCE DR. KARL THOMAE GMBH (DE) 2002-02-05 — — US disclosed
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2001-11-01 — — US disclosed
CN-1230196-A Modified aminoacids, pharmaceuticals containing these compounds and method for their prodn. THOMAE GMBH DR K (DE) 1999-09-29 — — CN 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS ESR1 2036/4885ESR2 2250/4885MIF 1374/4885
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 ESR1 3178/4885ESR2 2420/4885MIF 936/4885
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS ESR1 2951/4885ESR2 2344/4885MIF 1059/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 ESR1 3178/4885ESR2 2420/4885MIF 936/4885

“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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