SCHEMBL6367127

SCHEMBL6367127

CCOC(=O)C(C=O)c1cccc(O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.44
LMNA P02545 3/20 0.44
GALR3 O60755 1/20 0.44
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA7 P43166 3/20 0.40
CA9 Q16790 3/20 0.40
CA14 Q9ULX7 3/20 0.40
MMP8 P22894 1/20 0.40
ADRB1 P08588 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRB2 P07550 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRB3 P13945 1/20 0.40
TSHR P16473 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL6366347 0.86 ALDH1A1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL6368686 0.84 MAPT (0.44) LMNAMMP8RAB9AGAA
SCHEMBL6368506 0.84 MAPT (0.44) LMNAMMP8GAA
SCHEMBL290761 0.84 ALDH1A1 (0.43) LMNAMMP8TSHRKDM4EGAA
SCHEMBL5313250 0.82 L3MBTL1 (0.51) TSHRRAB9A
SCHEMBL1516027 0.82 MMP8 (0.53) LMNAMMP8TSHRKDM4EGAA
SCHEMBL27435889 0.81 LOXL2 (0.42) MMP8TSHROPRM1
SCHEMBL11770256 0.81 ESR1 (0.49) LMNACA12CA1CA2CA7
SCHEMBL6374481 0.80 CES2 (0.45) GAA
SCHEMBL5212783 0.80 KYNU (0.49) HIF1ALMNAGALR3CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6838478-B2 Amino acid derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2005-01-04 US disclosed
CN-1129604-C Amino acid derivatives and their use as thrombin inhibitors ASTRA AB (SE) 2003-12-03 CN disclosed
EP-0910573-B1 NEW AMINO ACID DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2003-01-29 EP disclosed
US-20020019371-A1 New amino acid derivatives and their use as thrombin inhibitors ASTRAZENECA AB 2002-02-14 US disclosed
US-6255301-B1 CARDIOVASCULAR DISORDERS; ANTICOAGULANT; PROTEASE INHIBITORS ASTRAZENECA AB (SE) 2001-07-03 US disclosed
CN-1226895-A Amino acid derivatives and their use as thrombin inhibitors ASTRA AB (SE) 1999-08-25 CN disclosed
EP-0910573-A1 NEW AMINO ACID DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS Astra Aktiebolag (SE) 1999-04-28 EP disclosed
WO-1997046577-A1 NEW AMINO ACID DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRA AKTIEBOLAG (SE) 1997-12-11 WO disclosed
US-3940407-A β-Adrenergic blocking agents in the 1,2,3-thiadiazole series SYNTEX (U.S.A.) INC. (US) 1976-02-24 US 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-20020019371-A1 New amino acid derivatives and their use as thrombin inhibitors F2, SERPINC1, FGB HIF1A 1369/4885LMNA 2056/4885GALR3 2081/4885

“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.