SCHEMBL5121206

SCHEMBL5121206

CC(C)Oc1nn(CCO)cc1C(=O)NCc1ccc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
EPHX2 P34913 7/20 0.43
P2RX7 Q99572 6/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
NLRP1 Q9C000 1/20 0.43
PPARG P37231 2/20 0.42
RECQL P46063 1/20 0.42
CASP1 P29466 1/20 0.42
NR1H4 Q96RI1 1/20 0.40

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
SCHEMBL5106751 0.94 TSHR (0.43) TSHREPHX2P2RX7LMNAMAPK1
SCHEMBL5110169 0.87 EPHX2 (0.48) TSHREPHX2P2RX7LMNAMAPK1
SCHEMBL5110205 0.82 TSHR (0.44) TSHREPHX2P2RX7LMNAMAPK1
SCHEMBL5121631 0.81 PPARG (0.48) TSHREPHX2P2RX7LMNAMAPK1
SCHEMBL5109316 0.80 P2RX3 (0.41) EPHX2P2RX7PPARG
SCHEMBL5120428 0.79 PPARG (0.58) TSHREPHX2P2RX7PPARGRECQL
SCHEMBL5115472 0.79 PPARG (0.59) TSHREPHX2P2RX7PPARGRECQL
SCHEMBL5113109 0.79 PPARG (0.51) TSHREPHX2P2RX7LMNAPPARG
SCHEMBL5113332 0.77 EPHX2 (0.48) TSHREPHX2P2RX7LMNAMAPK1
SCHEMBL5109820 0.77 EPHX2 (0.46) TSHREPHX2P2RX7LMNAMAPK1

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-20080051418-A1 Arylalkanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-28 US disclosed
EP-1829863-A1 ARYLALKANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-09-05 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-20080051418-A1 Arylalkanoic Acid Derivative INSR, NPY1R, GPR119 TSHR 98/4885EPHX2 2573/4885P2RX7 730/4885

“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.