SCHEMBL1646177

SCHEMBL1646177

COC(=O)N[C@H](C(=O)N1CC(F)(F)C[C@H]1C(=O)O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.37
CYP2C9 P11712 3/20 0.36
NR1I2 O75469 1/20 0.36
ABCB11 O95342 1/20 0.36
OPRK1 P41145 1/20 0.36
KCNH2 Q12809 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
ELANE P08246 2/20 0.33
CMA1 P23946 1/20 0.33
CAPN1 P07384 1/20 0.33

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
SCHEMBL15692748 0.90 PEPD (0.40) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL1979535 0.88 CYP3A4 (0.37) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL12772907 0.87 CYP3A4 (0.36) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL1981741 0.87 PEPD (0.42) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL12773346 0.86 PEPD (0.45) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL19792172 0.86 PEPD (0.45) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL15586366 0.83 MMP2 (0.38) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL206302 0.83 MMP2 (0.38) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL205475 0.83 MMP2 (0.38) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL19593019 0.83 MMP2 (0.38) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9416139-B2 Spiro ring compound as hepatitis C virus (HCV) inhibitor and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-08-16 US disclosed
US-9416139-B2 Spiro ring compound as hepatitis C virus (HCV) inhibitor and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-08-16 US disclosed
US-9303061-B2 Spiro compounds as Hepatitis C virus inhibitors Sunshine Luke Pharma Co., Ltd. (CN) 2016-04-05 US disclosed
US-9303061-B2 Spiro compounds as Hepatitis C virus inhibitors Sunshine Luke Pharma Co., Ltd. (CN) 2016-04-05 US disclosed
EP-2730572-B1 SPIRO COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS SUNSHINE LAKE PHARMA CO LTD (CN) 2015-09-16 EP disclosed
US-20140147412-A1 SPIRO COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-05-29 US disclosed
US-20140147412-A1 SPIRO COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-05-29 US disclosed
EP-2730572-A1 SPIRO COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS Sunshine Lake Pharma Co., Ltd (CN) 2014-05-14 EP disclosed
WO-2011091446-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-07-28 WO disclosed
WO-2011050146-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-04-28 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-20140147412-A1 SPIRO COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS HAVCR2, SORD, SLC10A1 CYP3A4 43/4885CYP2C9 27/4885NR1I2 14/4885

“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.