Sugi Predict

Sugi Predict / Compounds / SCHEMBL10177276

SCHEMBL10177276

SCHEMBL10177276

COC(=O)N[C@@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc4nc([C@@H]5CCCN5C(=O)[C@H](NC(=O)OC)C(C)C)[nH]c4c3)cc2)[nH]1)C(C)C

nearest known ligand 0.81

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 6/20 0.81
▸ CYP2C9 P11712 4/20 0.81
▸ NR1I2 O75469 2/20 0.81
▸ ABCB11 O95342 1/20 0.81
▸ OPRK1 P41145 1/20 0.81
▸ KCNH2 Q12809 1/20 0.81
▸ CYP1A2 P05177 2/20 0.73
▸ CYP2D6 P10635 1/20 0.72

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
SCHEMBL16474245 1.00 CYP3A4 (0.81) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL2449665 1.00 CYP3A4 (0.81) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL14841799 1.00 CYP3A4 (0.81) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL10177537 1.00 CYP3A4 (0.81) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL10177898 1.00 CYP3A4 (0.81) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL15462359 1.00 CYP3A4 (0.81) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL2706507 1.00 CYP3A4 (0.81) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL13192601 1.00 CYP3A4 (0.81) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL15462358 1.00 CYP3A4 (0.81) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL204376 1.00 CYP3A4 (0.81) CYP3A4CYP2C9NR1I2ABCB11OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9120779-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2015-09-01 — — US disclosed
US-9120779-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2015-09-01 — — US disclosed
US-8394968-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-12 — — US disclosed
US-20120115855-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-10 — — US disclosed
US-20110237579-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2011-09-29 — — US disclosed
US-20110237579-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2011-09-29 — — US disclosed
US-20110195044-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 — — US disclosed
US-20100215616-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-08-26 — — 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 (4 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-20100215616-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP3A4 1107/4885CYP2C9 2585/4885NR1I2 1341/4885
US-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP3A4 1107/4885CYP2C9 2585/4885NR1I2 1341/4885
US-20120115855-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 CYP3A4 2538/4885CYP2C9 3984/4885NR1I2 1398/4885
US-20110237579-A1 INHIBITORS OF HCV NS5A MAVS, HAVCR2, EIF2AK2 CYP3A4 1765/4885CYP2C9 3426/4885NR1I2 1595/4885

“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.