SCHEMBL17124875

SCHEMBL17124875

COC(=O)c1ccc(CF)c(Br)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.58
P4HB P07237 1/20 0.51
MAPT P10636 5/20 0.47
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
ATM Q13315 1/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA12 O43570 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
XDH P47989 1/20 0.47
CCR6 P51684 1/20 0.47

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
SCHEMBL29144717 0.87 NOTUM (0.54) NOTUMP4HBMAPTALDH1A1HSD17B10
SCHEMBL3577577 0.86 NOTUM (0.57) NOTUMP4HBMAPTALDH1A1HSD17B10
SCHEMBL29975942 0.85 NOTUM (0.55) NOTUMP4HBMAPTALDH1A1HSD17B10
SCHEMBL30848162 0.85 P4HB (0.66) NOTUMP4HBMAPTALDH1A1HSD17B10
SCHEMBL1040017 0.85 NOTUM (0.55) NOTUMP4HBMAPTALDH1A1HSD17B10
SCHEMBL18973337 0.85 P4HB (0.66) NOTUMP4HBMAPTALDH1A1HSD17B10
SCHEMBL17010776 0.83 LOXL2 (0.54) NOTUMP4HBMAPTALDH1A1HSD17B10
SCHEMBL31063216 0.83 NOTUM (0.54) NOTUMP4HBMAPTALDH1A1HSD17B10
SCHEMBL17385782 0.82 NOTUM (0.53) NOTUMP4HBMAPTALDH1A1HSD17B10
SCHEMBL17385775 0.82 NPC1 (0.56) NOTUMP4HBMAPTALDH1A1HSD17B10

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-9400280-B2 Piperidine derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2016-07-26 US disclosed
US-9400280-B2 Piperidine derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2016-07-26 US disclosed
US-20150274652-A1 PIPERIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2015-10-01 US disclosed
US-20150274652-A1 PIPERIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2015-10-01 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-20150274652-A1 PIPERIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HAMP, EBNA1BP2 NOTUM 1883/4885P4HB 846/4885MAPT 4424/4885

“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.