SCHEMBL6368686

SCHEMBL6368686

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.43
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
RAB9A P51151 1/20 0.39
MMP8 P22894 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 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
SCHEMBL31726687 0.85 HDAC4 (0.47) LMNAHDAC4HDAC7HDAC5KMT2A
SCHEMBL6366347 0.85 ALDH1A1 (0.44) MAPTKMT2ACYP2C19SMN1; SMN2TDP1
SCHEMBL6367127 0.84 HIF1A (0.44) LMNARAB9AMMP8GAA
SCHEMBL290761 0.82 ALDH1A1 (0.43) MAPTLMNAMMP8ALDH1A1GAA
SCHEMBL6368506 0.82 MAPT (0.44) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL6374481 0.82 CES2 (0.45) MAPTMEN1KMT2ACES2POLB
SCHEMBL15645799 0.81 MMP8 (0.50) MAPTLMNAHDAC4HDAC7HDAC5
SCHEMBL27971666 0.81 MAPT (0.47) MAPTLMNAMEN1KMT2ACYP2C19
SCHEMBL5313250 0.81 L3MBTL1 (0.51) MAPTSMN1; SMN2TDP1RAB9AALDH1A1
SCHEMBL1516027 0.81 MMP8 (0.53) MAPTLMNAMEN1KMT2ASMN1; SMN2

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 8 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

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 MAPT 4770/4885LMNA 2056/4885HDAC4 4373/4885

“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.