SCHEMBL6366172

SCHEMBL6366172

Cc1ccc(C)c(C(CO)C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
SRC P12931 1/20 0.41
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
BRD4 O60885 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
CYP2C9 P11712 1/20 0.37
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL6366174 1.00 KMT2A (0.41) KMT2AMEN1SRCTSHRALDH1A1
SCHEMBL6366177 1.00 KMT2A (0.41) KMT2AMEN1SRCTSHRALDH1A1
SCHEMBL6207758 0.83 SRC (0.42) KMT2AMEN1SRCTSHRSMN1; SMN2
SCHEMBL7604674 0.80 AKR1C2 (0.49) TSHRSMN1; SMN2
SCHEMBL7604681 0.80 AKR1C2 (0.49) TSHRSMN1; SMN2
SCHEMBL5156708 0.80 PDE5A (0.44) KMT2AMEN1SRCTSHRLMNA
SCHEMBL7604678 0.80 AKR1C2 (0.49) TSHRSMN1; SMN2
SCHEMBL5457124 0.79 TSHR (0.51) KMT2AMEN1SRCTSHRSMN1; SMN2
SCHEMBL1857873 0.78 ACP3 (0.43) KMT2AMEN1TSHRALDH1A1CYP2C19
SCHEMBL8706660 0.77 SRC (0.49) KMT2AMEN1SRCTSHRALDH1A1

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 KMT2A 3943/4885MEN1 2803/4885SRC 1543/4885

“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.