SCHEMBL17486189

SCHEMBL17486189

CC1(C)c2ccc(-c3cc(C(F)(F)F)c(-c4nc(C#N)cc(C#N)n4)cn3)cc2C(C)(C)C1(C)C

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.37
AR P10275 1/20 0.34
CTSK P43235 12/20 0.33
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL17485999 0.79 KDM4E (0.34) KDM4EALDH1A1L3MBTL1HPGD
SCHEMBL17486134 0.78 TDP1 (0.35) KDM4EALDH1A1TDP1L3MBTL1HPGD
SCHEMBL17486165 0.75 CYP11B2 (0.35) CTSSCTSKALDH1A1L3MBTL1
SCHEMBL17486289 0.74 NOTUM (0.33)
SCHEMBL17486186 0.71 CYP11B1 (0.31) KDM4EALDH1A1
SCHEMBL19295094 0.69 LIPE (0.32)
SCHEMBL17486083 0.68 HSD17B1 (0.33) CTSKKDM4EALDH1A1L3MBTL1HPGD
SCHEMBL17486175 0.68
SCHEMBL19295157 0.66 NPC1 (0.36) ALDH1A1
SCHEMBL17485980 0.66 HSD17B1 (0.35)

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
EP-3174890-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-03-13 EP disclosed
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 US disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 US disclosed
WO-2016015815-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-02-04 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 (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-20170250353-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 CTSS 1272/4885AR 3913/4885CTSK 2070/4885

“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.