SCHEMBL18740102

SCHEMBL18740102

O=C(O)Cc1ccc(CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.63
EPHX2 P34913 1/20 0.46
OPRD1 P41143 1/20 0.46
CASP3 P42574 2/20 0.44
FABP7 O15540 1/20 0.43
FABP5 Q01469 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
NCOR2 Q9Y618 1/20 0.42

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
SCHEMBL30570803 1.00 KMT2A (0.63) KMT2AEPHX2OPRD1CASP3FABP7
SCHEMBL6032374 0.91 KMT2A (0.67) KMT2AEPHX2OPRD1CASP3FABP7
SCHEMBL14247589 0.88 KMT2A (0.60) KMT2AEPHX2OPRD1CASP3FABP7
SCHEMBL30640436 0.88 KMT2A (0.59) KMT2AEPHX2OPRD1CASP3FABP7
SCHEMBL525564 0.88 KMT2A (0.59) KMT2AEPHX2OPRD1CASP3FABP7
SCHEMBL5963770 0.84 KMT2A (0.47) KMT2ACASP3
SCHEMBL23270799 0.84 KMT2A (0.62) KMT2AEPHX2OPRD1HDAC3HDAC4
SCHEMBL8013815 0.82 KMT2A (0.69) KMT2A
SCHEMBL29679600 0.82 EPHX2 (0.60) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL1001375 0.82 EPHX2 (0.60) KMT2AEPHX2CASP3FABP7FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753447-B2 Cyclic peptides, methods of synthesis, and methods of treatment THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-09-12 US disclosed
US-11753447-B2 Cyclic peptides, methods of synthesis, and methods of treatment THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-09-12 US disclosed
US-20220033444-A1 Cyclic Peptides, Methods of Synthesis, and Methods of Treatment THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-02-03 US disclosed
EP-3362454-A1 EP4 ANTAGONISTS Eisai R&D Management Co., Ltd. (JP) 2018-08-22 EP disclosed
WO-2017066633-A1 EP4 ANTAGONISTS EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-04-20 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 (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-11753447-B2 Cyclic peptides, methods of synthesis, and methods of treatment VIP, PTMS, SARS1 KMT2A 4793/4885EPHX2 4199/4885OPRD1 2438/4885
US-20220033444-A1 Cyclic Peptides, Methods of Synthesis, and Methods of Treatment VIP, PTMS, SARS1 KMT2A 4793/4885EPHX2 4199/4885OPRD1 2438/4885

“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.