SCHEMBL8273152

SCHEMBL8273152

C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(N)n3)nc3cc(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)P(=O)(O)O

nearest known ligand 0.88

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.58
PPP3CB P16298 1/20 0.58
CYP3A4 P08684 1/20 0.46
ABCC1 P33527 1/20 0.42
ABCC2 Q92887 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42

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
SCHEMBL8272872 0.94 CTSB (0.61) CTSBPPP3CBCYP3A4ABCC1ABCC2
SCHEMBL13521346 0.94 CTSB (0.61) CTSBPPP3CBCYP3A4ABCC1ABCC2
SCHEMBL13522947 0.94 CTSB (0.61) CTSBPPP3CBCYP3A4ABCC1ABCC2
SCHEMBL13523196 0.94 CTSB (0.61) CTSBPPP3CBCYP3A4ABCC1ABCC2
SCHEMBL13522767 0.94 CTSB (0.61) CTSBPPP3CBCYP3A4ABCC1ABCC2
SCHEMBL13521334 0.94 CTSB (0.61) CTSBPPP3CBCYP3A4ABCC1ABCC2
SCHEMBL8274121 0.94 CTSB (0.61) CTSBPPP3CBCYP3A4ABCC1ABCC2
SCHEMBL13521339 0.94 CTSB (0.61) CTSBPPP3CBCYP3A4ABCC1ABCC2
SCHEMBL8274537 0.94 CTSB (0.58) CTSBPPP3CBCYP3A4ABCC1ABCC2
SCHEMBL13521335 0.94 CTSB (0.61) CTSBPPP3CBCYP3A4ABCC1ABCC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778702-B1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2011-07-13 EP disclosed
EP-2316839-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2011-05-04 EP disclosed
US-7642339-B2 Hepatitis C; 1-benzyloxycarbonylamino-2-vinyl-cyclopropyl)-phenyl-phosphinic acid ethyl ester GILEAD SCIENCES, INC. (US) 2010-01-05 US disclosed
US-7642339-B2 Hepatitis C; 1-benzyloxycarbonylamino-2-vinyl-cyclopropyl)-phenyl-phosphinic acid ethyl ester GILEAD SCIENCES, INC. (US) 2010-01-05 US disclosed
US-20080311077-A1 Antiviral Compounds GILEAD SCIENCES, INC. 2008-12-18 US disclosed
US-20080311077-A1 Antiviral Compounds GILEAD SCIENCES, INC. 2008-12-18 US disclosed
WO-2006020276-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-02-23 WO 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 (1 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-20080311077-A1 Antiviral Compounds EIF2AK2, MAVS, ITPA CTSB 1150/4885PPP3CB 292/4885CYP3A4 2852/4885

“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.