SCHEMBL18501434

SCHEMBL18501434

CC[C@H]1CC[C@@H](c2nc3ccc(Br)cc3[nH]2)N1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.43
HCRTR2 O43614 5/20 0.43
CHEK2 O96017 6/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
MMP8 P22894 2/20 0.39
MMP13 P45452 2/20 0.39
EGLN1 Q9GZT9 2/20 0.38
EGFR P00533 1/20 0.37
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR4 P22455 1/20 0.36
FGFR3 P22607 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPY5R Q15761 1/20 0.36

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
SCHEMBL10201184 0.88 HCRTR1 (0.45) HCRTR1HCRTR2CHEK2MMP2MMP9
SCHEMBL12422781 0.83 CHEK2 (0.38) CHEK2
SCHEMBL935316 0.82 GABRG2 (0.36) CHEK2
SCHEMBL935314 0.82 GABRG2 (0.36) CHEK2
SCHEMBL935317 0.82 GABRG2 (0.36) CHEK2
SCHEMBL12423721 0.82 GABRG2 (0.36) CHEK2
SCHEMBL18506293 0.82 USP30 (0.39) HCRTR1HCRTR2CHEK2ALDH1A1
SCHEMBL14929996 0.82 HCRTR1 (0.43) HCRTR1HCRTR2CHEK2MMP2MMP9
SCHEMBL17947974 0.82 HCRTR1 (0.43) HCRTR1HCRTR2CHEK2MMP2MMP9
SCHEMBL15773663 0.81 HCRTR1 (0.42) HCRTR1HCRTR2CHEK2MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738629-B2 Bridged ring compounds as Hepatitis C virus inhibitors, pharmaceutical compositions and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-08-22 US disclosed
US-9738629-B2 Bridged ring compounds as Hepatitis C virus inhibitors, pharmaceutical compositions and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-08-22 US disclosed
US-20170044140-A1 BRIDGED RING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-02-16 US disclosed
US-20170044140-A1 BRIDGED RING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-02-16 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-20170044140-A1 BRIDGED RING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SLC10A1, CYP7A1, CYP3A43 HCRTR1 2199/4885HCRTR2 2917/4885CHEK2 4323/4885

“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.