SCHEMBL10164319

SCHEMBL10164319

COC(=O)[C@H](CCN1CCSCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.42
PADI1 Q9ULC6 1/20 0.39
PADI4 Q9UM07 1/20 0.39
CTSL P07711 2/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CTSK P43235 9/20 0.37
CTSS P25774 6/20 0.37
CTSB P07858 1/20 0.37
DRD2 P14416 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
KLK5 Q9Y337 1/20 0.35

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
SCHEMBL2449068 0.87 ITGB3 (0.44) PADI1PADI4CTSLITGB3ITGA2B
SCHEMBL2449064 0.87 ITGB3 (0.44) PADI1PADI4CTSLITGB3ITGA2B
SCHEMBL10164354 0.85 CTSK (0.43) PADI1PADI4CTSLITGB3ITGA2B
SCHEMBL10164317 0.84 PADI1 (0.38) PADI1PADI4CTSLITGB3ITGA2B
SCHEMBL20179503 0.79 ITGB3 (0.48) ITGB3ITGA2BCTSKCTSSDRD2
SCHEMBL28937294 0.79 ITGB3 (0.48) ITGB3ITGA2BCTSKCTSSDRD2
SCHEMBL1076354 0.76 ITGA4 (0.41) CTSLITGB3ITGA2BNFKB1NFKB2
SCHEMBL30819570 0.76 DRD2 (0.43) CTSLITGB3ITGA2BNFKB1NFKB2
SCHEMBL21033562 0.76 DRD2 (0.59) CTSKDRD2
SCHEMBL21409064 0.75 CTSK (0.44) CTSLITGB3ITGA2BCTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3689353-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS Gilead Sciences, Inc. (US) 2020-08-05 EP disclosed
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-20170158647-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2017-06-08 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-2487163-B1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES INC (US) 2016-08-17 EP disclosed
EP-2487162-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
EP-2487167-A1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2012-08-15 EP disclosed
EP-2487166-A1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2012-08-15 EP disclosed
EP-2487168-A1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2012-08-15 EP disclosed
EP-2487161-A1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2012-08-15 EP disclosed
EP-2487164-A1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2012-08-15 EP disclosed
US-8148374-B2 Concurrent administering of drugs; side effect reduction GILEAD SCIENCES, INC. (US) 2012-04-03 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
WO-2008103949-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2008-08-28 WO disclosed
US-20080207620-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2008-08-28 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 (3 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-20080207620-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 PREP 1598/4885PADI1 4142/4885PADI4 3364/4885
US-20100189687-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 PREP 1598/4885PADI1 4142/4885PADI4 3364/4885
US-20170158647-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 PREP 1598/4885PADI1 4142/4885PADI4 3364/4885

“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.