SCHEMBL6367733

SCHEMBL6367733

CC(C)(C)OC(=O)Nc1cccc(C(CO)C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.45
▸ HDAC1 Q13547 3/20 0.43
▸ HDAC3 O15379 2/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ CYP17A1 P05093 1/20 0.42
▸ PRMT5 O14744 1/20 0.42
▸ WDR77 Q9BQA1 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ HDAC4 P56524 2/20 0.42
▸ AURKA O14965 1/20 0.42
▸ RPS6KB1 P23443 1/20 0.42
▸ BACE1 P56817 3/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41

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
SCHEMBL6367739 1.00 IDO1 (0.45) IDO1HDAC1HDAC3HDAC2HDAC8
SCHEMBL6367736 1.00 IDO1 (0.45) IDO1HDAC1HDAC3HDAC2HDAC8
SCHEMBL30771329 0.88 PRMT5 (0.45) IDO1HDAC1HDAC3HDAC2HDAC8
SCHEMBL4986287 0.85 IDO1 (0.46) IDO1HDAC1HDAC3HDAC2HDAC8
SCHEMBL14090972 0.83 IDO1 (0.46) IDO1HDAC1HDAC3HDAC2HDAC8
SCHEMBL4396277 0.83 PTGS1 (0.48) IDO1HDAC1HDAC3HDAC2HDAC8
SCHEMBL29800023 0.83 PTGS1 (0.48) IDO1HDAC1HDAC3HDAC2HDAC8
SCHEMBL6372575 0.82 CASR (0.39) MAPTBACE1CASRMEN1KMT2A
SCHEMBL6372571 0.82 CASR (0.39) MAPTBACE1CASRMEN1KMT2A
SCHEMBL11090583 0.82 HDAC1 (0.45) IDO1HDAC1HDAC3HDAC2HDAC8

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 6 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
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
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

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 IDO1 1170/4885HDAC1 2518/4885HDAC3 2703/4885

“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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