SCHEMBL10140557

SCHEMBL10140557

COC(=O)N[C@H](C(=O)N1C[C@@H](F)C[C@H]1C)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.40
CYP3A4 P08684 6/20 0.39
CYP2C9 P11712 5/20 0.38
KCNH2 Q12809 2/20 0.38
NR1I2 O75469 1/20 0.38
ABCB11 O95342 1/20 0.38
OPRK1 P41145 1/20 0.38
PEPD P12955 1/20 0.38
XPNPEP1 Q9NQW7 1/20 0.38
DPP4 P27487 3/20 0.37
DPP8 Q6V1X1 2/20 0.37
DPP9 Q86TI2 2/20 0.37
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.33
CAPN1 P07384 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
SCHEMBL18949024 1.00 PIN1 (0.40) PIN1CYP3A4CYP2C9KCNH2NR1I2
SCHEMBL3268607 1.00 PIN1 (0.40) PIN1CYP3A4CYP2C9KCNH2NR1I2
SCHEMBL15765617 1.00 PIN1 (0.40) PIN1CYP3A4CYP2C9KCNH2NR1I2
SCHEMBL15765653 1.00 PIN1 (0.40) PIN1CYP3A4CYP2C9KCNH2NR1I2
SCHEMBL12402532 1.00 PIN1 (0.40) PIN1CYP3A4CYP2C9KCNH2NR1I2
SCHEMBL3265347 1.00 PIN1 (0.40) PIN1CYP3A4CYP2C9KCNH2NR1I2
SCHEMBL15478299 0.86 CYP2C9 (0.40) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL18949011 0.86 CYP2C9 (0.40) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL10119246 0.85 PIK3CD (0.40) PIN1CYP3A4CYP2C9KCNH2NR1I2
SCHEMBL9972557 0.85 PIK3CD (0.40) PIN1CYP3A4CYP2C9KCNH2NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed
US-20170157104-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
US-20170157105-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
EP-2678334-B1 ANTI-VIRAL COMPOUNDS ABBVIE BAHAMAS LTD (BS) 2017-03-22 EP disclosed
US-9586978-B2 Anti-viral compounds ABBVIE INC. (US) 2017-03-07 US disclosed
US-9394279-B2 Anti-viral compounds ABBVIE INC. (US) 2016-07-19 US disclosed
US-9127021-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-09-08 US disclosed
US-20150087618-A1 Anti-Viral Compounds ABBVIE INC. (US) 2015-03-26 US disclosed
US-8937150-B2 Anti-viral compounds ABBVIE INC. (US) 2015-01-20 US disclosed
US-8933110-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
US-8921514-B2 Anti-viral compounds ABBVIE INC. (US) 2014-12-30 US disclosed
US-8785487-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
US-20140155382-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2014-06-05 US disclosed
US-8653070-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-02-18 US disclosed
WO-2013052362-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2013-04-11 WO disclosed
WO-2012021704-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-02-16 WO disclosed
WO-2011127350-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-10-13 WO disclosed
WO-2011091417-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-07-28 WO disclosed
WO-2011081918-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC (US) 2011-07-07 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 (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-20140155382-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS PIN1 1388/4885CYP3A4 1792/4885CYP2C9 3780/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS PIN1 1388/4885CYP3A4 1792/4885CYP2C9 3780/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS PIN1 1388/4885CYP3A4 1792/4885CYP2C9 3780/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS PIN1 1388/4885CYP3A4 1792/4885CYP2C9 3780/4885

“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.