SCHEMBL12249474

SCHEMBL12249474

CCCNC(=O)OCc1cncs1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TDP1 Q9NUW8 1/20 0.57
LMNA P02545 3/20 0.54
HTT P42858 2/20 0.51
CYP3A4 P08684 8/20 0.49
CTSK P43235 1/20 0.43
CCNE1 P24864 2/20 0.42
CDK2 P24941 2/20 0.42
GSK3B P49841 2/20 0.42

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
SCHEMBL2736250 0.85 TDP1 (0.57) RAB9ANPC1SMN1; SMN2TDP1LMNA
SCHEMBL10202835 0.85 LMNA (0.58) RAB9ANPC1SMN1; SMN2TDP1LMNA
SCHEMBL2977720 0.85 CYP3A4 (0.53) RAB9ANPC1SMN1; SMN2TDP1LMNA
Hydrochloric Acid SCHEMBL271526 0.84 CYP3A4 (0.52) RAB9ANPC1SMN1; SMN2TDP1LMNA
SCHEMBL2736245 0.83 RAB9A (0.53) RAB9ANPC1SMN1; SMN2TDP1LMNA
SCHEMBL4961426 0.83 TDP1 (0.58) RAB9ANPC1SMN1; SMN2TDP1LMNA
SCHEMBL27817625 0.82 TDP1 (0.59) RAB9ANPC1SMN1; SMN2TDP1LMNA
SCHEMBL11983270 0.82 TDP1 (0.53) RAB9ANPC1SMN1; SMN2TDP1LMNA
SCHEMBL15046047 0.81 RAB9A (0.63) RAB9ANPC1SMN1; SMN2TDP1LMNA
SCHEMBL893540 0.81 NPC1 (0.51) RAB9ANPC1SMN1; SMN2TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20160303088-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2016-10-20 US disclosed
US-20160067360-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2016-03-10 US disclosed
US-20160069915-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC, 2016-03-10 US disclosed
US-9139541-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2015-09-22 US disclosed
US-20150225448-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2015-08-13 US disclosed
US-20150139948-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2015-05-21 US disclosed
US-20150011775-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2015-01-08 US disclosed
US-20140105859-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2014-04-17 US disclosed
US-20140017199-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2014-01-16 US disclosed
US-8486942-B2 Modulators of pharmacokinetic properties of therapeutics Gilead Sciencs, Inc. (US) 2013-07-16 US disclosed
US-20130123311-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2013-05-16 US disclosed
US-8383655-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2013-02-26 US disclosed
US-20120237478-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2012-09-20 US disclosed
US-20110212964-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2011-09-01 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 (13 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-20140105859-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 RAB9A 1234/4885NPC1 20/4885SMN1; SMN2 468/4885
US-20130123311-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 RAB9A 1234/4885NPC1 20/4885SMN1; SMN2 468/4885
US-20140017199-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 RAB9A 1445/4885NPC1 46/4885SMN1; SMN2 581/4885
US-20160303088-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 RAB9A 1234/4885NPC1 20/4885SMN1; SMN2 468/4885
US-20150139948-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 RAB9A 1445/4885NPC1 46/4885SMN1; SMN2 581/4885
US-20120237478-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-20150225448-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 RAB9A 1234/4885NPC1 20/4885SMN1; SMN2 468/4885
US-20170143680-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 RAB9A 1234/4885NPC1 20/4885SMN1; SMN2 468/4885
US-20160067360-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 RAB9A 1234/4885NPC1 20/4885SMN1; SMN2 468/4885
US-20150011775-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 RAB9A 1234/4885NPC1 20/4885SMN1; SMN2 468/4885
US-20110212964-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.