SCHEMBL3841003

SCHEMBL3841003

CC(C)(C)OC(=O)Nc1ccc(-c2cc(N(CC3CC3)C(=O)[C@H]3CC[C@H](C)CC3)c(C(=O)O)s2)cc1.CC(C)(C)OC(=O)Nc1ccc(B(O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2E1 P05181 1/20 0.35
▸ BRD4 O60885 1/20 0.32
▸ CREBBP Q92793 1/20 0.32
▸ NR1I2 O75469 2/20 0.32
▸ CYP17A1 P05093 1/20 0.32
▸ CHRM1 P11229 1/20 0.31
▸ PSMB8 P28062 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ HDAC1 Q13547 3/20 0.30
▸ HDAC6 Q9UBN7 2/20 0.30
▸ HDAC3 O15379 2/20 0.30
▸ HDAC2 Q92769 1/20 0.30
▸ HDAC8 Q9BY41 1/20 0.30
▸ HDAC10 Q969S8 1/20 0.30
▸ PTPN2 P17706 1/20 0.30
▸ PTPN1 P18031 1/20 0.30
▸ PTPN6 P29350 1/20 0.30

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
SCHEMBL2432447 0.88 KDM4E (0.38) BRD4CREBBPCYP17A1CHRM1PSMB8
SCHEMBL2432446 0.88 KDM4E (0.38) BRD4CREBBPCYP17A1CHRM1PSMB8
SCHEMBL2430839 0.78 CYP2E1 (0.34) CYP2E1KDM4EHTTATMPTPN1
SCHEMBL12329287 0.78 CYP2E1 (0.35) CYP2E1NR1I2KDM4EHTTATM
SCHEMBL2430841 0.78 CYP2E1 (0.34) CYP2E1KDM4EHTTATMPTPN1
SCHEMBL2429926 0.77 GRM4 (0.41) KDM4EHDAC6PTPN1
SCHEMBL2429921 0.77 GRM4 (0.41) KDM4EHDAC6PTPN1
SCHEMBL2431720 0.77 AXL (0.38) CYP2E1KDM4E
SCHEMBL2431715 0.77 AXL (0.38) CYP2E1KDM4E
SCHEMBL2430490 0.76 GRM4 (0.36) CYP2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 — — US disclosed
EP-2086966-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SmithKline Beecham Corporation (US) 2009-08-12 — — EP disclosed
WO-2008059042-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-22 — — 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-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS EIF2AK2, HAVCR2, GTF3C2 CYP2E1 118/4885BRD4 2525/4885CREBBP 1303/4885

“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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