SCHEMBL2736245

SCHEMBL2736245

CC(C)(C)OC(=O)NCCNC(=O)OCc1cncs1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TDP1 Q9NUW8 2/20 0.52
LMNA P02545 3/20 0.50
HTT P42858 3/20 0.47
CYP3A4 P08684 7/20 0.46
MALT1 Q9UDY8 1/20 0.40
MAPT P10636 1/20 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
SCHEMBL893540 0.95 NPC1 (0.51) RAB9ANPC1SMN1; SMN2TDP1LMNA
SCHEMBL17085869 0.85 HTT (0.47) RAB9ANPC1SMN1; SMN2TDP1LMNA
SCHEMBL12249474 0.83 RAB9A (0.58) RAB9ANPC1SMN1; SMN2TDP1LMNA
SCHEMBL10202835 0.83 LMNA (0.58) RAB9ANPC1SMN1; SMN2TDP1LMNA
SCHEMBL9933949 0.83 NPC1 (0.44) RAB9ANPC1SMN1; SMN2TDP1LMNA
SCHEMBL13246049 0.82 RAB9A (0.75) RAB9ANPC1SMN1; SMN2TDP1LMNA
SCHEMBL2736250 0.81 TDP1 (0.57) RAB9ANPC1SMN1; SMN2TDP1LMNA
SCHEMBL2408136 0.80 GPR119 (0.44) RAB9ANPC1SMN1; SMN2TDP1LMNA
SCHEMBL893821 0.78 LMNA (0.70) RAB9ANPC1SMN1; SMN2TDP1LMNA
SCHEMBL15159957 0.78 CYP3A4 (0.58) CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3696171-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS Gilead Sciences, Inc. (US) 2020-08-19 EP disclosed
EP-3689353-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS Gilead Sciences, Inc. (US) 2020-08-05 EP disclosed
EP-3112355-B1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES INC (US) 2020-04-29 EP disclosed
US-20180221348-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2018-08-09 US disclosed
US-20170158647-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2017-06-08 US disclosed
US-20170143680-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2017-05-25 US disclosed
EP-3150586-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS Gilead Sciences, Inc. (US) 2017-04-05 EP disclosed
EP-3112355-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2017-01-04 EP disclosed
EP-2487165-B1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES INC (US) 2016-09-14 EP disclosed
EP-2487163-B1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES INC (US) 2016-08-17 EP disclosed
US-7939553-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2011-05-10 US disclosed
US-7939553-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2011-05-10 US disclosed
US-20090291952-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2009-11-26 US disclosed
US-20090291952-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2009-11-26 US disclosed
US-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES,INC. (US) 2009-07-16 US disclosed
US-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES,INC. (US) 2009-07-16 US disclosed
US-20080207620-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2008-08-28 US disclosed
US-20080207620-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2008-08-28 US disclosed
US-20080108617-A1 co-administered drug (as HIV protease inhibiting compound, an HIV (non)nucleoside/nucleotide inhibitor of reverse transcriptase, capsid polymerization inhibitor, interferon, ribavirin analog) by inhibiting cytochrome P450 monooxygenase; ureido- or amido-amine derivatives; side effect reduction GILEAD SCIENCES, INC. 2008-05-08 US disclosed
US-20080108617-A1 co-administered drug (as HIV protease inhibiting compound, an HIV (non)nucleoside/nucleotide inhibitor of reverse transcriptase, capsid polymerization inhibitor, interferon, ribavirin analog) by inhibiting cytochrome P450 monooxygenase; ureido- or amido-amine derivatives; side effect reduction GILEAD SCIENCES, INC. 2008-05-08 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 (7 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-20080108617-A1 co-administered drug (as HIV protease inhibiting compound, an HIV (non)nucleoside/nucleotide inhibitor of reverse transcriptase, capsid polymerization inhibitor, interferon, ribavirin analog) by inhibiting cytochrome P450 monooxygenase; ureido- or amido-amine derivatives; side effect reduction PNP, UNG, PNPO RAB9A 2175/4885NPC1 635/4885SMN1; SMN2 3501/4885
US-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics SLC10A1, SLC10A2, SLC26A4 RAB9A 1486/4885NPC1 47/4885SMN1; SMN2 502/4885
US-20080207620-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 RAB9A 1445/4885NPC1 46/4885SMN1; SMN2 581/4885
US-20180221348-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 RAB9A 1234/4885NPC1 20/4885SMN1; SMN2 468/4885
US-20170158647-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 RAB9A 1445/4885NPC1 46/4885SMN1; SMN2 581/4885
US-20170143680-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 RAB9A 1234/4885NPC1 20/4885SMN1; SMN2 468/4885
US-20090291952-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 RAB9A 1234/4885NPC1 20/4885SMN1; SMN2 468/4885

“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.