SCHEMBL3814967

SCHEMBL3814967

CCOc1cc(OC2CC(C(=O)NC3(C(=O)O)CC3CC)N(C(=O)C(NC(=O)OC(C)(C)C(F)(F)F)C(C)(C)C)C2)c2cccc(Cl)c2n1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 1/20 0.50
ABCC2 Q92887 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
CTSB P07858 1/20 0.42
PPP3CB P16298 1/20 0.42
CYP3A4 P08684 2/20 0.39
ELANE P08246 8/20 0.35
KCNH2 Q12809 1/20 0.32
RORC P51449 1/20 0.32

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
SCHEMBL13757868 1.00 ABCC1 (0.50) ABCC1ABCC2ABCG2CTSBPPP3CB
SCHEMBL3809562 0.95 ABCC1 (0.49) ABCC1ABCC2ABCG2CTSBPPP3CB
SCHEMBL8131104 0.95 ABCC1 (0.49) ABCC1ABCC2ABCG2CTSBPPP3CB
SCHEMBL3372948 0.95 ABCC1 (0.51) ABCC1ABCC2ABCG2CTSBPPP3CB
SCHEMBL13757860 0.95 ABCC1 (0.51) ABCC1ABCC2ABCG2CTSBPPP3CB
SCHEMBL3376743 0.91 ABCC1 (0.49) ABCC1ABCC2ABCG2CTSBPPP3CB
SCHEMBL8145156 0.91 CYP3A4 (0.42) ABCC1ABCC2ABCG2CTSBPPP3CB
SCHEMBL3370492 0.90 ABCC1 (0.49) ABCC1ABCC2ABCG2CTSBPPP3CB
SCHEMBL13757897 0.90 ABCC1 (0.49) ABCC1ABCC2ABCG2CTSBPPP3CB
SCHEMBL8143370 0.90 ABCC1 (0.47) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809267-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-08-19 US disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 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 (2 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-20090186869-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 ABCC1 1980/4885ABCC2 2957/4885ABCG2 1209/4885
US-20140051626-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.