SCHEMBL22927031

SCHEMBL22927031

CC(C)(C)OC(=O)N1C[C@@H](C(=O)OCc2ccccc2)NC1=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
CTSL P07711 1/20 0.45
HPGD P15428 1/20 0.44
HTR2C P28335 1/20 0.43
PARP1 P09874 1/20 0.42
FKBP1A P62942 2/20 0.41
BACE1 P56817 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ABCB1 P08183 1/20 0.40
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL17481627 0.88 NPC1 (0.50) TSHRHPGDHTR2CBACE1MEN1
SCHEMBL1929718 0.82 HTR2C (0.48) TSHRHPGDHTR2CFKBP1ANPC1
SCHEMBL25804037 0.79 KDM4E (0.36) HPGDMAPK1SMN1; SMN2
SCHEMBL20701414 0.79 NPC1 (0.51) HTR2CMEN1KMT2ANPC1GAA
SCHEMBL14567386 0.79 TSHR (0.52) TSHRHPGDHTR2CBACE1MEN1
SCHEMBL1710024 0.79 TSHR (0.52) TSHRHPGDHTR2CBACE1MEN1
SCHEMBL20701800 0.78 FAAH (0.48) TSHRHTR2CNPC1GAAMAPK1
SCHEMBL20701799 0.78 FAAH (0.48) TSHRHTR2CNPC1GAAMAPK1
SCHEMBL17153132 0.78 JAK2 (0.47) TSHRCTSLPARP1MEN1KMT2A
SCHEMBL15122636 0.77 HPGD (0.45) CTSLHPGDHTR2CPARP1FKBP1A

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-20210024575-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2021-01-28 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-20210024575-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A TSHR 4517/4885CTSL 2080/4885HPGD 604/4885

“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.