SCHEMBL9898689

SCHEMBL9898689

CC(C)(C)OC(=O)C(Cc1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
CYP2C9 P11712 2/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
GPR119 Q8TDV5 2/20 0.39
NPR3 P17342 1/20 0.38
P2RX7 Q99572 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP2J2 P51589 1/20 0.38

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
SCHEMBL9898533 0.86 ESR1 (0.59) EPHX2ESR1ESR2CYP2C9CYP2C19
SCHEMBL9896010 0.82 EPHX2 (0.51) EPHX2ESR2CYP2C9CYP2C19CYP2J2
SCHEMBL9895911 0.80 KMT2A (0.48) EPHX2ESR1ESR2
SCHEMBL7438490 0.76 MEN1 (0.43) CYP2C9CTSSCTSKCYP2C19
SCHEMBL7847559 0.76 EPHX2 (0.49) EPHX2ESR2
SCHEMBL15268895 0.74 ROCK1 (0.41) CTSSCTSK
SCHEMBL16921584 0.74 CTSS (0.49) EPHX2CTSSCTSKNPR3
SCHEMBL9896903 0.74 ESR1 (0.73) ESR1ESR2
SCHEMBL14445115 0.72 APP (0.42) CTSSCTSK
SCHEMBL9895273 0.72 ESR1 (0.48) EPHX2ESR1ESR2CYP2C9PDE4A

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-20120149718-A1 Amido Compounds BROTHERTON-PLEISS CHRISTINE E (US) 2012-06-14 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-20120149718-A1 Amido Compounds P2RX7, P2RX3, P2RX2 EPHX2 1765/4885ESR1 984/4885ESR2 746/4885

“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.