SCHEMBL6700370

SCHEMBL6700370

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 3/20 0.34
DPP4 P27487 5/20 0.33
TSHR P16473 2/20 0.32
HSD17B10 Q99714 2/20 0.32
POLB P06746 1/20 0.32
NR5A1 Q13285 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
MAPK1 P28482 1/20 0.31
PPARG P37231 1/20 0.31
P2RX3 P56373 1/20 0.31
ACKR3 P25106 1/20 0.31
PGR P06401 1/20 0.31
RORA P35398 1/20 0.31
RORC P51449 1/20 0.31
RORB Q92753 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
SCHEMBL5235811 0.92 TP53 (0.35) S1PR3DPP4TSHRHSD17B10POLB
SCHEMBL5231048 0.90 TSHR (0.36) S1PR3DPP4TSHRHSD17B10POLB
SCHEMBL5233036 0.89 RORC (0.37) S1PR3DPP4ALDH1A1HPGDMAPK1
SCHEMBL5231638 0.88 TSHR (0.37) S1PR3DPP4TSHRHSD17B10POLB
SCHEMBL5231951 0.88 POLB (0.34) DPP4TSHRHSD17B10POLBKDM4E
SCHEMBL5236402 0.88 PGR (0.40) DPP4HSD17B10KDM4EPGRRORA
Hydrochloric Acid SCHEMBL5235850 0.86 DPP4 (0.41) DPP4
SCHEMBL5233701 0.86 TSHR (0.36) S1PR3DPP4TSHRHSD17B10KDM4E
SCHEMBL5275959 0.86 RORA (0.37) DPP4TSHRHSD17B10KDM4EALDH1A1
SCHEMBL5232653 0.86 MAPT (0.36) S1PR3TSHRHSD17B10KDM4EALDH1A1

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 S1PR3 4779/4885DPP4 2/4885TSHR 2475/4885

“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.