SCHEMBL6367016

SCHEMBL6367016

Cc1cc(Cl)cc([C@H](CO)C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GRN P28799 3/20 0.36
SORT1 Q99523 3/20 0.36
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CTSA P10619 2/20 0.33
PTGS2 P35354 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6367023 1.00 POLB (0.42) POLBKMT2AMEN1GRNSORT1
SCHEMBL6367015 1.00 POLB (0.42) POLBKMT2AMEN1GRNSORT1
SCHEMBL7375255 0.89 AKR1C3 (0.43) POLBKMT2AMEN1AKR1C3AKR1C2
SCHEMBL6374731 0.89 AKR1C3 (0.43) POLBKMT2AMEN1AKR1C3AKR1C2
SCHEMBL6374729 0.89 AKR1C3 (0.43) POLBKMT2AMEN1AKR1C3AKR1C2
SCHEMBL6366742 0.87 KMT2A (0.44) POLBKMT2AMEN1GRNSORT1
SCHEMBL6366746 0.87 KMT2A (0.44) POLBKMT2AMEN1GRNSORT1
SCHEMBL6366744 0.87 KMT2A (0.44) POLBKMT2AMEN1GRNSORT1
SCHEMBL25294188 0.79 KMT2A (0.39) POLBKMT2AMEN1GRNSORT1
SCHEMBL30434823 0.79 KMT2A (0.39) POLBKMT2AMEN1GRNSORT1

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 POLB 2344/4885KMT2A 3943/4885MEN1 2803/4885

“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.