SCHEMBL20013228

SCHEMBL20013228

CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCC(=O)NCCCN

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.48
▸ SLC6A5 Q9Y345 2/20 0.48
▸ RECQL P46063 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ FAAH O00519 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ PAOX Q6QHF9 3/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ DNM1 Q05193 1/20 0.40

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
SCHEMBL19973325 0.95 SLC6A5 (0.54) EPHX2SLC6A5RECQLGAAFAAH
SCHEMBL30055020 0.92 CA1 (0.44) EPHX2SLC6A5RECQLGAATDP1
SCHEMBL20327914 0.87 TSHR (0.43) EPHX2SLC6A5RECQLGAAFAAH
SCHEMBL30111127 0.87 EPHX2 (0.49) EPHX2RECQLGAAFAAHTDP1
SCHEMBL22995959 0.87 SLC6A5 (0.48) EPHX2SLC6A5RECQLGAAFAAH
SCHEMBL22199737 0.85 TLR2 (0.42) EPHX2SLC6A5RECQLGAAFAAH
SCHEMBL17746937 0.84 KDM4E (0.49) EPHX2SLC6A5RECQLGAAFAAH
SCHEMBL540944 0.84 CASP2 (0.59) EPHX2SLC6A5GAAFAAHL3MBTL1
SCHEMBL17751908 0.84 CASP2 (0.59) EPHX2SLC6A5GAAFAAHL3MBTL1
SCHEMBL31226269 0.84 KDM4E (0.49) EPHX2SLC6A5RECQLGAAFAAH

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-11358988-B2 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2022-06-14 — — US disclosed
EP-3778622-A1 MACROCYCLIC PEPTIDES USEFUL AS IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2021-02-17 — — EP disclosed
EP-3218392-B1 MACROCYCLIC PEPTIDES USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2020-07-29 — — EP disclosed
US-20200216498-A1 IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-07-09 — — US disclosed
US-10633419-B2 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-04-28 — — US disclosed
US-20180086793-A1 IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-03-29 — — 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 (4 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-10633419-B2 Immunomodulators CD74, ICOS, HAVCR2 EPHX2 2816/4885SLC6A5 4762/4885RECQL 1425/4885
US-11358988-B2 Immunomodulators CD74, ICOS, HAVCR2 EPHX2 2816/4885SLC6A5 4762/4885RECQL 1425/4885
US-20180086793-A1 IMMUNOMODULATORS CD74, ICOS, HAVCR2 EPHX2 2816/4885SLC6A5 4762/4885RECQL 1425/4885
US-20200216498-A1 IMMUNOMODULATORS CD74, ICOS, HAVCR2 EPHX2 2816/4885SLC6A5 4762/4885RECQL 1425/4885

“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.

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