SCHEMBL2216266

SCHEMBL2216266

CC(C)(C)OC(=O)[C@@]1(C(=O)O)CCCN1O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
HSD17B10 Q99714 1/20 0.32
CTSK P43235 1/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BTK Q06187 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8585741 1.00 HPGD (0.33) HPGDCYP4F2CYP4A11HSD17B10CTSK
SCHEMBL998215 0.87 HPGD (0.35) HPGDCYP4F2CYP4A11CTSKUSP2
SCHEMBL7995307 0.86 MAPK1 (0.36)
SCHEMBL7382306 0.83 CYP4F2 (0.33) HPGDCYP4F2CYP4A11CTSKUSP2
SCHEMBL4299193 0.80 CYP4F2 (0.32) CYP4F2CYP4A11CTSKUSP2SMN1; SMN2
SCHEMBL19281600 0.79 CYP4F2 (0.35) HPGDCYP4F2CYP4A11CTSKUSP2
SCHEMBL9854762 0.78 CYP4F2 (0.33) CYP4F2CYP4A11CTSK
SCHEMBL18301541 0.77 MMP1 (0.33) CYP4F2CYP4A11CTSK
SCHEMBL9518563 0.77 CYP4F2 (0.32) HPGDCYP4F2CYP4A11CTSKUSP2
SCHEMBL630080 0.76 GRIN2B (0.38) HPGDCYP4F2CYP4A11HSD17B10CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106349237-A Method for preparing hydrobromic acid teneligliptin 南通普悦生物医药有限公司 2017-01-25 CN disclosed
US-7989471-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2011-08-02 US disclosed
EP-1912995-B1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2011-07-27 EP disclosed
CN-101909446-A Quinoxaline-containing compounds as hepatitis c virus inhibitors ENANTA PHARM INC 2010-12-08 CN disclosed
US-20100240698-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2010-09-23 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 (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-20100240698-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS CYP2B6, SRD5A1, NR5A2 HPGD 633/4885CYP4F2 102/4885CYP4A11 40/4885

“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.