SCHEMBL2736195

SCHEMBL2736195

CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](C=O)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
AKT1 P31749 2/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HTT P42858 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 1/20 0.40
CTSS P25774 3/20 0.39
CTSL P07711 2/20 0.39

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
SCHEMBL2736205 0.87 HDAC3 (0.45) ATML3MBTL1ALDH1A1LMNAPOLB
SCHEMBL12249316 0.85 MEN1 (0.41) ATML3MBTL1ALDH1A1LMNAPOLB
SCHEMBL7659115 0.84 ATM (0.45) ATML3MBTL1AKT1ITGA4ITGB7
SCHEMBL7893852 0.84 ATM (0.45) ATML3MBTL1AKT1ITGA4ITGB7
SCHEMBL28397926 0.82 ATM (0.43) ATML3MBTL1ALDH1A1AKT1HDAC3
SCHEMBL17965949 0.81 MEN1 (0.47) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL17965951 0.81 MEN1 (0.47) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL9013326 0.81 MEN1 (0.47) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL23005035 0.81 ATM (0.45) ATML3MBTL1ALDH1A1LMNAPOLB
SCHEMBL2736191 0.81 ATM (0.47) ATMALDH1A1LMNAHSD17B10AKT1

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 133 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9891239-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2018-02-13 US disclosed
EP-3150586-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS Gilead Sciences, Inc. (US) 2017-04-05 EP disclosed
US-9575080-B2 2017-02-21 US disclosed
US-9575080-B2 2017-02-21 US disclosed
EP-3112355-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2017-01-04 EP disclosed
US-20160303088-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2016-10-20 US disclosed
EP-2487165-B1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES INC (US) 2016-09-14 EP disclosed
EP-2487162-B1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES INC (US) 2016-08-17 EP disclosed
EP-2487163-B1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES INC (US) 2016-08-17 EP disclosed
EP-2487161-B1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES INC (US) 2016-08-10 EP disclosed
US-5648511-A Method for making intermediates useful in the synthesis of retroviral protease inhibitors G.D. SEARLE & CO. (US) 1997-07-15 US disclosed
WO-1997018205-A1 SUBSTITUTED SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-05-22 WO disclosed
WO-1997018190-A1 N-PROTECTED/N-SUBSTITUTED-BETA-AMINO HYDROXY SULFONATES G.D. SEARLE & CO. (US) 1997-05-22 WO disclosed
WO-1996028464-A1 BIS-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-19 WO disclosed
WO-1996028418-A1 SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-19 WO disclosed
WO-1996028465-A1 HETEROCYCLECARBONYL AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-19 WO disclosed
WO-1996028463-A1 AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-19 WO disclosed
EP-0730570-A1 METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-11 EP disclosed
WO-1996022275-A1 METHOD OF PREPARING RETROVIRAL PROTEASE INHIBITOR INTERMEDIATES G.D. SEARLE & CO. (US) 1996-07-25 WO disclosed
WO-1995014653-A1 METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-06-01 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-20160303088-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 ATM 4242/4885L3MBTL1 4154/4885ALDH1A1 994/4885

“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.