SCHEMBL2736250

SCHEMBL2736250

NCCNC(=O)OCc1cncs1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.57
LMNA P02545 3/20 0.54
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HTT P42858 2/20 0.51
PARP15 Q460N3 1/20 0.45
PARP10 Q53GL7 1/20 0.45
CYP3A4 P08684 10/20 0.45

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
SCHEMBL11983270 0.90 TDP1 (0.53) TDP1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL12249474 0.85 RAB9A (0.58) TDP1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL10202835 0.85 LMNA (0.58) TDP1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL4961426 0.83 TDP1 (0.58) TDP1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL4401702 0.82 TDP1 (0.51) TDP1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL27817625 0.82 TDP1 (0.59) TDP1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL2736245 0.81 RAB9A (0.53) TDP1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL14124252 0.81 TDP1 (0.52) TDP1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL11919310 0.80 NPC1 (0.50) TDP1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL2977720 0.80 CYP3A4 (0.53) TDP1LMNARAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101432129-A Novel compounds that are useful for improving pharmacokinetics ABBOTT LAB (US) 2009-05-13 CN claimed
US-9891239-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2018-02-13 US disclosed
US-9891239-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2018-02-13 US disclosed
US-9575080-B2 2017-02-21 US disclosed
US-9575080-B2 2017-02-21 US disclosed
US-20160303088-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2016-10-20 US disclosed
US-20160303088-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2016-10-20 US disclosed
US-9139541-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2015-09-22 US disclosed
US-8148374-B2 Concurrent administering of drugs; side effect reduction GILEAD SCIENCES, INC. (US) 2012-04-03 US disclosed
US-8088770-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-7939553-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2011-05-10 US disclosed
US-20100189687-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2010-07-29 US disclosed
US-20100189687-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2010-07-29 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
CN-101432129-A Novel compounds that are useful for improving pharmacokinetics ABBOTT LAB (US) 2009-05-13 CN 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 TDP1 798/4885LMNA 2926/4885RAB9A 2175/4885
US-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics SLC10A1, SLC10A2, SLC26A4 TDP1 3338/4885LMNA 3437/4885RAB9A 1486/4885
US-20080207620-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 TDP1 3285/4885LMNA 3458/4885RAB9A 1445/4885
US-20160303088-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 TDP1 2706/4885LMNA 3534/4885RAB9A 1234/4885
US-20100189687-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 TDP1 3285/4885LMNA 3458/4885RAB9A 1445/4885
US-20090291952-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 TDP1 2706/4885LMNA 3534/4885RAB9A 1234/4885

“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.