SCHEMBL10271300

SCHEMBL10271300

CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(NC(C)C)n3)nc3c(Cl)c(OC)ccc23)CN1C(=O)[C@@H](NCl)C(C)(C)C)C(=O)OC

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 1/20 0.69
ABCC2 Q92887 1/20 0.69
ABCG2 Q9UNQ0 1/20 0.69
CTSB P07858 1/20 0.57
PPP3CB P16298 1/20 0.57
CYP3A4 P08684 2/20 0.40
ADRB3 P13945 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
ELANE P08246 1/20 0.34
KCNH2 Q12809 1/20 0.34
VHL P40337 6/20 0.31
ELOC Q15369 4/20 0.31
ELOB Q15370 4/20 0.31

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
SCHEMBL10221283 0.95 ABCC1 (0.66) ABCC1ABCC2ABCG2CTSBPPP3CB
SCHEMBL13083020 0.92 ABCC1 (0.73) ABCC1ABCC2ABCG2CTSBPPP3CB
SCHEMBL10271478 0.91 CTSB (0.66) ABCC1ABCC2ABCG2CTSBPPP3CB
SCHEMBL14864667 0.90 ABCC1 (0.84) ABCC1ABCC2ABCG2CTSBPPP3CB
SCHEMBL10220483 0.90 ABCC1 (0.84) ABCC1ABCC2ABCG2CTSBPPP3CB
SCHEMBL10221596 0.90 ABCC1 (0.84) ABCC1ABCC2ABCG2CTSBPPP3CB
SCHEMBL10220962 0.90 ABCC1 (0.84) ABCC1ABCC2ABCG2CTSBPPP3CB
SCHEMBL10220289 0.90 ABCC1 (0.84) ABCC1ABCC2ABCG2CTSBPPP3CB
SCHEMBL10221838 0.89 ABCC1 (0.74) ABCC1ABCC2ABCG2CTSBPPP3CB
SCHEMBL10221456 0.89 ABCC1 (0.80) ABCC1ABCC2ABCG2CTSBPPP3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150080569-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-03-19 US disclosed
US-8809266-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-08-19 US disclosed
US-20130274439-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2013-10-17 US disclosed
US-8420597-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-04-16 US disclosed
US-20130053577-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-02-28 US disclosed
US-8283442-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-10-09 US disclosed
US-20120190866-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-07-26 US disclosed
US-8178491-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-05-15 US disclosed
US-20090257978-A1 Antiviral coumpounds GILEAD SCIENCES, INC. (US) 2009-10-15 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 (5 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-20130274439-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ABCC1 1980/4885ABCC2 2957/4885ABCG2 1209/4885
US-20090257978-A1 Antiviral coumpounds MAVS, ZC3HAV1, EIF2AK2 ABCC1 905/4885ABCC2 1226/4885ABCG2 1155/4885
US-20130053577-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ABCC1 1980/4885ABCC2 2957/4885ABCG2 1209/4885
US-20120190866-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ABCC1 1980/4885ABCC2 2957/4885ABCG2 1209/4885
US-20150080569-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ABCC1 1980/4885ABCC2 2957/4885ABCG2 1209/4885

“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.