SCHEMBL16488984

SCHEMBL16488984

COC(C)CNC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.59
CTSS P25774 4/20 0.59
CA2 P00918 1/20 0.58
CA5A P35218 1/20 0.58
CTSB P07858 6/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CA1 P00915 1/20 0.56
CTSD P07339 2/20 0.55
CTSK P43235 5/20 0.53
CASP3 P42574 2/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
CASP9 P55211 1/20 0.53
CASP6 P55212 1/20 0.53
CASP8 Q14790 1/20 0.53
LMNA P02545 1/20 0.52
ELANE P08246 1/20 0.51
PRTN3 P24158 1/20 0.51

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
SCHEMBL16488980 1.00 CTSL (0.59) CTSLCTSSCA2CA5ACTSB
SCHEMBL15289789 0.90 CTSL (0.59) CTSLCTSSCA2CA5ACTSB
SCHEMBL15289840 0.90 CTSL (0.59) CTSLCTSSCA2CA5ACTSB
SCHEMBL2228720 0.88 CA2 (0.63) CTSLCTSSCA2CA5ACTSB
SCHEMBL4075762 0.86 CTSS (0.65) CTSLCTSSCA2CA5ACTSB
SCHEMBL5662889 0.85 CA2 (0.61) CTSLCTSSCA2CA5ACTSB
SCHEMBL5547819 0.85 CA2 (0.61) CTSLCTSSCA2CA5ACTSB
SCHEMBL5547822 0.85 CA2 (0.61) CTSLCTSSCA2CA5ACTSB
SCHEMBL5547827 0.85 CA2 (0.61) CTSLCTSSCA2CA5ACTSB
SCHEMBL14401772 0.85 CTSD (0.71) CTSLCTSSCA2CA5ACTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180133220-A1 COMPOUNDS FOR USE IN TREATING ACUTE CORONARY SYNDROME AND RELATED CONDITIONS VITAE PHARMACEUTICALS, LLC 2018-05-17 US disclosed
US-20180117041-A1 LIVER X RECEPTOR MODULATORS VITAE PHARMACEUTICALS, INC. 2018-05-03 US disclosed
US-9814715-B2 Liver X receptor modulators VITAE PHARAMCEUTICALS, INC. (US) 2017-11-14 US disclosed
US-20170231992-A1 COMPOUNDS FOR USE IN TREATING ACUTE CORONARY SYNDROME AND RELATED CONDITIONS VITAE PHARMACEUTICALS, INC. 2017-08-17 US disclosed
US-9707232-B2 Liver X receptor modulators VITAE PHARMACEUTICALS, INC. (US) 2017-07-18 US disclosed
US-20170136017-A1 LIVER X RECEPTOR MODULATORS VITAE PHARMACEUTICALS, LLC 2017-05-18 US disclosed
US-20170007603-A1 LIVER X RECEPTOR MODULATORS VITAE PHARMACEUTICALS, LLC 2017-01-12 US disclosed
US-9416135-B2 Liver X receptor modulators VITAE PHARMACEUTICALS, INC. (US) 2016-08-16 US disclosed
US-9388190-B2 Liver X receptor modulators VITAE PHARMACEUTICALS, INC. (US) 2016-07-12 US disclosed
US-20160113930-A1 COMPOUNDS FOR USE IN TREATING RETT SYNDROME VITAE PHARMACEUTICALS, INC. 2016-04-28 US disclosed
US-20150336963-A1 LIVER X RECEPTOR MODULATORS VITAE PHARMACEUTICALS, LLC 2015-11-26 US disclosed
US-20150250787-A1 COMPOUNDS FOR USE IN TREATING SKIN CANCERS VITAE PHARMACEUTICALS, INC. 2015-09-10 US disclosed
US-20150246924-A1 LIVER X RECEPTOR MODULATORS VITAE PHARMACEUTICALS, LLC 2015-09-03 US disclosed
US-9073931-B2 Liver X receptor modulators VITAE PHARMACEUTICALS, INC. (US) 2015-07-07 US disclosed
US-9006245-B2 Liver X receptor modulators VITAE PHARMACEUTICALS, INC. (US) 2015-04-14 US disclosed
US-9006244-B2 Liver X receptor modulators VITAE PHARMACEUTICALS, INC. (US) 2015-04-14 US disclosed
US-20150080406-A1 LIVER X RECEPTOR MODULATORS VITAE PHARMACEUTICALS, LLC 2015-03-19 US disclosed
US-20150065515-A1 LIVER X RECEPTOR MODULATORS VITAE PHARMACEUTICALS, LLC 2015-03-05 US disclosed
US-20150051214-A1 LIVER X RECEPTOR MODULATORS VITAE PHARMACEUTICALS, LLC 2015-02-19 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 (12 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-20180117041-A1 LIVER X RECEPTOR MODULATORS SLC10A1, NR1H4, NR1H2 CTSL 4166/4885CTSS 2794/4885CA2 2909/4885
US-20150336963-A1 LIVER X RECEPTOR MODULATORS SLC10A1, NR1H4, NR1H2 CTSL 4166/4885CTSS 2794/4885CA2 2909/4885
US-20170231992-A1 COMPOUNDS FOR USE IN TREATING ACUTE CORONARY SYNDROME AND RELATED CONDITIONS TNNI3, FABP3, TNNT2 CTSL 714/4885CTSS 264/4885CA2 877/4885
US-20150065515-A1 LIVER X RECEPTOR MODULATORS SLC10A1, NR1H4, NR1H2 CTSL 4166/4885CTSS 2794/4885CA2 2909/4885
US-20150051214-A1 LIVER X RECEPTOR MODULATORS SLC10A1, NR1H4, NR1H2 CTSL 4166/4885CTSS 2794/4885CA2 2909/4885
US-20160113930-A1 COMPOUNDS FOR USE IN TREATING RETT SYNDROME RET, RARS2, RARS1 CTSL 4149/4885CTSS 1476/4885CA2 3312/4885
US-20150246924-A1 LIVER X RECEPTOR MODULATORS SLC10A1, NR1H4, NR1H2 CTSL 4166/4885CTSS 2794/4885CA2 2909/4885
US-20170136017-A1 LIVER X RECEPTOR MODULATORS SLC10A1, NR1H4, NR1H2 CTSL 4166/4885CTSS 2794/4885CA2 2909/4885
US-20150250787-A1 COMPOUNDS FOR USE IN TREATING SKIN CANCERS TP53, KRT18, VHL CTSL 2665/4885CTSS 1606/4885CA2 1470/4885
US-20150080406-A1 LIVER X RECEPTOR MODULATORS SLC10A1, NR1H4, NR1H2 CTSL 4166/4885CTSS 2794/4885CA2 2909/4885
US-20180133220-A1 COMPOUNDS FOR USE IN TREATING ACUTE CORONARY SYNDROME AND RELATED CONDITIONS TNNI3, FABP3, TNNT2 CTSL 714/4885CTSS 264/4885CA2 877/4885
US-20170007603-A1 LIVER X RECEPTOR MODULATORS SLC10A1, NR1H4, NR1H2 CTSL 4166/4885CTSS 2794/4885CA2 2909/4885

“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.