SCHEMBL5576340

SCHEMBL5576340

COc1c(C(=O)O)n(CC(C)(C)C)c(=O)c2cc(Cl)c(Cl)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.46
ABCB11 O95342 1/20 0.45
GAA P10253 2/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 1/20 0.35
TPMT P51580 1/20 0.35
DPP4 P27487 1/20 0.34
KRAS P01116 1/20 0.34
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 1/20 0.34
GRM2 Q14416 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
PIK3CA P42336 1/20 0.32
MAPT P10636 1/20 0.31
APEX1 P27695 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 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
SCHEMBL5577131 0.86 GABRA1 (0.35) CCR2ABCB11GAAPOLBNPSR1
SCHEMBL5235402 0.84 PTGS1 (0.36) CCR2ABCB11GAAPOLBNPSR1
SCHEMBL5233243 0.84 PLA2G2A (0.38) CCR2ABCB11GAAPOLBNPSR1
SCHEMBL5577125 0.83 CCR2 (0.33) CCR2ABCB11GAAPOLBNPSR1
SCHEMBL5576873 0.83 DPP4 (0.36) CCR2ABCB11GAAPOLBNPSR1
SCHEMBL5576501 0.82 GAA (0.36) GAAPOLBNPSR1ALDH1A1KDM4E
Oxalic Acid SCHEMBL5576785 0.81 KDM4E (0.46) GAAPOLBALDH1A1KDM4EMEN1
Hydrochloric Acid SCHEMBL5577115 0.78 MEN1 (0.37) POLBALDH1A1KDM4EMEN1HPGD
SCHEMBL5576507 0.76 SIGMAR1 (0.48) TSHRALDH1A1KDM4EHSD17B10MEN1
SCHEMBL5577098 0.76 ALOX5AP (0.39) CCR2ABCB11NPSR1TSHRDPP4

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-20070117840-A1 Receptor antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US disclosed
EP-1604983-A1 RECEPTOR ANTAGONIST Takeda Pharmaceutical Company Limited (JP) 2005-12-14 EP 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-20070117840-A1 Receptor antagonist FSHR, NR4A1, GHRHR CCR2 641/4885ABCB11 3003/4885GAA 4885/4885

“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.