SCHEMBL19428362

SCHEMBL19428362

COC[C@@H](CO)CC(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31
MME P08473 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL19428363 1.00 TSHR (0.38) TSHRCACNA2D1CACNB3CACNA1CPGR
SCHEMBL12039712 0.84 ALDH1A1 (0.33) TSHRCACNA2D1CACNB3CACNA1CPGR
SCHEMBL3969770 0.84 ALDH1A1 (0.33) TSHRCACNA2D1CACNB3CACNA1CPGR
SCHEMBL1169708 0.81 PIK3CD (0.32) TSHRCACNA2D1CACNB3CACNA1CPGR
SCHEMBL2989955 0.81
SCHEMBL1079107 0.81
SCHEMBL3199611 0.81
SCHEMBL7461460 0.78 TSHR (0.32) TSHRTDP1
SCHEMBL21064215 0.78 TSHR (0.36) TSHRCACNA2D1CACNB3CACNA1CPGR
SCHEMBL15158732 0.78 TSHR (0.53) TSHRCACNA2D1CACNB3CACNA1CPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2017-10-05 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-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 TSHR 932/4885CACNA2D1 4462/4885CACNB3 4836/4885

“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.