SCHEMBL15430402

SCHEMBL15430402

CC(C)(C)OC(=O)Nc1ccc2cc(Br)ccc2c1NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 12/20 0.44
▸ NCEH1 Q6PIU2 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ LCK P06239 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA9 Q16790 1/20 0.38

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
SCHEMBL6120845 0.94 AAK1 (0.42) AAK1NCEH1SMN1; SMN2LMNAL3MBTL1
SCHEMBL28655699 0.88 NCEH1 (0.48) AAK1NCEH1SMN1; SMN2LMNAL3MBTL1
SCHEMBL18829298 0.86 HPGD (0.43) SMN1; SMN2NPC1RAB9ALCKCA12
SCHEMBL18731484 0.86 AAK1 (0.47) AAK1NCEH1SMN1; SMN2LMNAL3MBTL1
SCHEMBL2279427 0.82 AAK1 (0.39) AAK1NCEH1SMN1; SMN2LMNAL3MBTL1
SCHEMBL30175900 0.80 AAK1 (0.49) AAK1SMN1; SMN2NPC1RECQLRAB9A
SCHEMBL1519234 0.80 AAK1 (0.49) AAK1SMN1; SMN2NPC1RECQLRAB9A
SCHEMBL13514632 0.77 AAK1 (0.47) AAK1SMN1; SMN2NPC1RECQLRAB9A
SCHEMBL31167627 0.77 AAK1 (0.52) AAK1SMN1; SMN2NPC1RAB9ALCK
SCHEMBL4975833 0.77 AAK1 (0.52) AAK1SMN1; SMN2NPC1RAB9ALCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3699176-A2 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-08-26 — — EP disclosed
EP-3284741-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-02-21 — — EP disclosed
EP-2640719-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-05-10 — — EP disclosed
US-20150353529-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2015-12-10 — — US disclosed
US-20150353529-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2015-12-10 — — US disclosed
US-9156823-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2015-10-13 — — US disclosed
US-9156823-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2015-10-13 — — US disclosed
US-20140018313-A1 ANTIVIRAL COMPOUNDS Gelead Sciences, Inc. 2014-01-16 — — US disclosed
US-20140018313-A1 ANTIVIRAL COMPOUNDS Gelead Sciences, Inc. 2014-01-16 — — 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-20140018313-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 AAK1 3098/4885NCEH1 2882/4885SMN1; SMN2 1564/4885
US-20150353529-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 AAK1 3098/4885NCEH1 2882/4885SMN1; SMN2 1564/4885

“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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