SCHEMBL888973

SCHEMBL888973

COC(=O)N[C@H](C(=O)N1CC[C@@H](C(=O)NC(C)C)C1)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 5/20 0.49
MEN1 O00255 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 2/20 0.48
CCR1 P32246 3/20 0.44
TSHR P16473 3/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.41
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
NR1I2 O75469 1/20 0.39
ABCB11 O95342 1/20 0.39
CYP2C9 P11712 1/20 0.39
OPRK1 P41145 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL12755260 1.00 CYP3A4 (0.49) CYP3A4CYP2C19KMT2AMEN1SMN1; SMN2
SCHEMBL15691813 0.90 CYP3A4 (0.44) CYP3A4CYP2C19KMT2AMEN1SMN1; SMN2
SCHEMBL15976268 0.90 CYP3A4 (0.44) CYP3A4CYP2C19KMT2AMEN1SMN1; SMN2
SCHEMBL12771425 0.83 POLB (0.40) CYP3A4CYP2C19KMT2AMEN1POLB
SCHEMBL15691823 0.81 PTPN1 (0.53) CYP3A4KMT2AMEN1SMN1; SMN2POLB
SCHEMBL3266695 0.81 DPP4 (0.47) CYP3A4CYP2C19CCR1ABL1BCR
SCHEMBL15458238 0.81 DPP4 (0.47) CYP3A4CYP2C19CCR1ABL1BCR
SCHEMBL17303216 0.81 DPP4 (0.47) CYP3A4CYP2C19CCR1ABL1BCR
SCHEMBL888865 0.81 CCR1 (0.38) CYP3A4CYP2C19KMT2ACCR1LMNA
SCHEMBL15691844 0.81 MEN1 (0.60) CYP2C19KMT2AMEN1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822700-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-09-02 US disclosed
US-8759332-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-06-24 US disclosed
US-8703938-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-04-22 US disclosed
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110064696-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110064697-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 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 (3 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-20110064697-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 CYP3A4 241/4885CYP2C19 465/4885KMT2A 2992/4885
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 CYP3A4 241/4885CYP2C19 465/4885KMT2A 2992/4885
US-20110064696-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 CYP3A4 241/4885CYP2C19 465/4885KMT2A 2992/4885

“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.