SCHEMBL8254697

SCHEMBL8254697

COC(=O)C1(C)CCC(C)(CNC(=O)OC(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.42
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
CA12 O43570 4/20 0.36
CA2 P00918 4/20 0.36
CA14 Q9ULX7 1/20 0.36
CA1 P00915 3/20 0.35
CA9 Q16790 3/20 0.35
EPHX1 P07099 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
ALDH1A1 P00352 1/20 0.34
DRD2 P14416 3/20 0.34
APLNR P35414 1/20 0.33
NPFFR1 Q9GZQ6 1/20 0.32
NPFFR2 Q9Y5X5 1/20 0.32

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
SCHEMBL13641704 0.90 HCRTR2 (0.48) HCRTR2TSHRTDP1MEN1KMT2A
SCHEMBL24485357 0.83 HCRTR2 (0.46) HCRTR2TSHRTDP1MEN1KMT2A
SCHEMBL25970649 0.83 HCRTR2 (0.46) HCRTR2TSHRTDP1MEN1KMT2A
SCHEMBL25785532 0.82 HCRTR2 (0.45) HCRTR2TSHRTDP1MEN1KMT2A
SCHEMBL21937632 0.79 HCRTR2 (0.49) HCRTR2TSHRTDP1MEN1KMT2A
SCHEMBL12070264 0.79 HCRTR2 (0.43) HCRTR2TSHRTDP1MEN1KMT2A
SCHEMBL15314948 0.79 HCRTR2 (0.49) HCRTR2TSHRTDP1MEN1KMT2A
SCHEMBL13185344 0.79 HCRTR2 (0.40) HCRTR2TSHRTDP1MEN1KMT2A
SCHEMBL14351298 0.79 TDP1 (0.45) HCRTR2TSHRTDP1MEN1KMT2A
Hydrochloric Acid SCHEMBL22495697 0.78 HCRTR2 (0.42) HCRTR2TSHRTDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
WO-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 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-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 HCRTR2 4014/4885TSHR 4659/4885TDP1 2304/4885

“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.