SCHEMBL6701413

SCHEMBL6701413

CCCCOc1c(CNC(=O)O)n(CC(C)(C)C)c(=O)c2ccc(CO)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.40
MAPK8 P45983 1/20 0.35
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
HPGD P15428 2/20 0.34
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
S1PR3 Q99500 2/20 0.34
GRM2 Q14416 1/20 0.33
DPP4 P27487 1/20 0.33
CNR2 P34972 3/20 0.33
TP53 P04637 2/20 0.33
PPARA Q07869 1/20 0.33
CNR1 P21554 2/20 0.32
TSHR P16473 2/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL5234970 0.90 DPP4 (0.35) MAPK8MAPTSMN1; SMN2S1PR3DPP4
SCHEMBL5275959 0.89 RORA (0.37) PGRMAPK8SMN1; SMN2GAADPP4
SCHEMBL5231048 0.89 TSHR (0.36) SMN1; SMN2HPGDGAAS1PR3DPP4
SCHEMBL5236611 0.89 MAPK8 (0.34) PGRMAPK8MAPTSMN1; SMN2CYP3A4
SCHEMBL5230679 0.89 DPP4 (0.36) MAPK8MAPTCYP3A4CYP2C9HPGD
SCHEMBL5237350 0.89 RORA (0.37) MAPTGAADPP4CNR2TP53
SCHEMBL5270276 0.89 PGR (0.41) PGRMAPK8S1PR3DPP4
SCHEMBL5235231 0.88 DPP4 (0.43) MAPK8MAPTSMN1; SMN2S1PR3DPP4
SCHEMBL5231638 0.88 TSHR (0.37) SMN1; SMN2HPGDS1PR3DPP4PPARA
SCHEMBL5238703 0.88 LMNA (0.39) MAPK8SMN1; SMN2DPP4ALDH1A1LMNA

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-20040082607-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-29 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-20040082607-A1 Fused heterocyclic compounds DPP7, DPP4, METAP1 PGR 4067/4885MAPK8 2612/4885MAPT 4855/4885

“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.