SCHEMBL12249355

SCHEMBL12249355

C[C@H](/C=C/[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSB P07858 7/20 0.56
CTSL P07711 6/20 0.56
CTSS P25774 3/20 0.55
CTRB1 P17538 2/20 0.54
ATM Q13315 1/20 0.54

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
SCHEMBL12249398 1.00 CTSB (0.56) CTSBCTSLCTSSCTRB1ATM
SCHEMBL2736217 0.92 CTSL (0.62) CTSBCTSLCTSSCTRB1ATM
SCHEMBL2736209 0.92 CTSL (0.62) CTSBCTSLCTSSCTRB1ATM
SCHEMBL7310419 0.92 CTSL (0.62) CTSBCTSLCTSSCTRB1ATM
SCHEMBL16281950 0.90 CTSL (0.47) CTSBCTSLCTSS
SCHEMBL15159967 0.86 SYK (0.60) CTSBCTSLCTSSCTRB1ATM
SCHEMBL12249318 0.84 ACE (0.57) CTSBCTSLCTSSATM
SCHEMBL9741528 0.83 CTRB1 (0.59) CTSBCTSLCTSSCTRB1ATM
SCHEMBL9819611 0.83 CTSL (0.69) CTSBCTSLCTSSCTRB1
SCHEMBL9819613 0.83 CTSL (0.69) CTSBCTSLCTSSCTRB1

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-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-20140364602-A1 METHODS AND INTERMEDIATES FOR PREPARING PHARMACEUTICAL AGENTS GILEAD SCIENCES, INC. (US) 2014-12-11 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 CTSB 1269/4885CTSL 866/4885CTSS 1703/4885
US-20130123311-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 CTSB 1269/4885CTSL 866/4885CTSS 1703/4885
US-20140017199-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 CTSB 1277/4885CTSL 779/4885CTSS 1955/4885
US-20160303088-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 CTSB 1269/4885CTSL 866/4885CTSS 1703/4885
US-20150139948-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 CTSB 1277/4885CTSL 779/4885CTSS 1955/4885
US-20140364602-A1 METHODS AND INTERMEDIATES FOR PREPARING PHARMACEUTICAL AGENTS CYP2F1, UGT1A1, CYP3A7 CTSB 1725/4885CTSL 1040/4885CTSS 1591/4885
US-20120237478-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 CTSB 1277/4885CTSL 779/4885CTSS 1955/4885
US-20170158647-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 CTSB 1277/4885CTSL 779/4885CTSS 1955/4885
US-20150225448-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 CTSB 1269/4885CTSL 866/4885CTSS 1703/4885
US-20170143680-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 CTSB 1269/4885CTSL 866/4885CTSS 1703/4885
US-20160067360-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 CTSB 1269/4885CTSL 866/4885CTSS 1703/4885
US-20150011775-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 CTSB 1269/4885CTSL 866/4885CTSS 1703/4885
US-20110212964-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 CTSB 1269/4885CTSL 866/4885CTSS 1703/4885

“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.