SCHEMBL4448418

SCHEMBL4448418

O=C(O)[C@@H]1[C@H](O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 3/20 0.47
FABP7 O15540 2/20 0.47
KMT2A Q03164 2/20 0.42
EPHX2 P34913 1/20 0.40
OPRD1 P41143 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MDM4 O15151 1/20 0.37
TP53 P04637 1/20 0.37
CASP3 P42574 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4050272 1.00 FABP5 (0.47) FABP5FABP7KMT2AEPHX2OPRD1
SCHEMBL4038089 1.00 FABP5 (0.47) FABP5FABP7KMT2AEPHX2OPRD1
SCHEMBL3423135 1.00 FABP5 (0.47) FABP5FABP7KMT2AEPHX2OPRD1
SCHEMBL30686169 1.00 FABP5 (0.47) FABP5FABP7KMT2AEPHX2OPRD1
SCHEMBL30686135 1.00 FABP5 (0.47) FABP5FABP7KMT2AEPHX2OPRD1
SCHEMBL5256666 0.94 FABP5 (0.44) FABP5FABP7KMT2AEPHX2OPRD1
SCHEMBL16179303 0.89 KMT2A (0.45) FABP5FABP7KMT2AEPHX2OPRD1
SCHEMBL30363018 0.88 FABP5 (0.45) FABP5FABP7KMT2AEPHX2OPRD1
SCHEMBL4040012 0.88 FABP5 (0.45) FABP5FABP7KMT2AEPHX2OPRD1
SCHEMBL1675971 0.86 FABP5 (0.50) FABP5FABP7KMT2AEPHX2OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022234853-A1 CYCLIC COMPOUND HAVING INHIBITORY EFFECT SELECTIVE FOR KRAS BUT NOT FOR HRAS AND NRAS 中外製薬株式会社 2022-11-10 WO disclosed
EP-2675912-B1 METHOD FOR ASSAYING OGFOD1 ACTIVITY OXFORD UNIVERSITY INNOVATION LTD (GB) 2016-11-16 EP disclosed
US-9228224-B2 Method for assaying OGFOD1 activity ISIS INNOVATION LIMITED (GB) 2016-01-05 US disclosed
US-20140051106-A1 METHOD FOR ASSAYING OGFOD1 ACTIVITY ISIS INNOVATION LIMITED (GB) 2014-02-20 US disclosed
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LTD. (GB) 2009-10-01 US disclosed
US-7425562-B2 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LTD. (GB) 2008-09-16 US disclosed
US-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases GRUNENTHAL GMBH (DE) 2004-07-15 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 (2 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-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 FABP5 4070/4885FABP7 4267/4885KMT2A 3948/4885
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES CPN1, CTRL, CPA1 FABP5 4316/4885FABP7 4194/4885KMT2A 4101/4885

“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.