SCHEMBL7450201

SCHEMBL7450201

COc1cc(C(=O)CC(=O)C(F)(F)F)ccc1-c1coc(I)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.41
PLOD3 O60568 2/20 0.40
PLOD1 Q02809 2/20 0.40
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
IMPDH2 P12268 1/20 0.37
IMPDH1 P20839 1/20 0.37
ADORA3 P0DMS8 8/20 0.37
MAPT P10636 2/20 0.35
MLYCD O95822 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
ADORA1 P30542 2/20 0.34
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33

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
SCHEMBL6512610 0.81 IMPDH2 (0.56) PLOD2PLOD3PLOD1CTNNB1WNT3A
SCHEMBL6514052 0.76 PLOD2 (0.40) PLOD2PLOD3PLOD1CTNNB1WNT3A
SCHEMBL9145097 0.75 MAPT (0.56) PLOD2PLOD3PLOD1CTNNB1WNT3A
SCHEMBL4029594 0.70 HTT (0.58) PLOD2PLOD3PLOD1MAPTMEN1
SCHEMBL6169355 0.70 PLOD2 (0.51) PLOD2PLOD3PLOD1CTNNB1WNT3A
SCHEMBL6166658 0.69 PLOD2 (0.50) PLOD2PLOD3PLOD1MAPTMEN1
SCHEMBL709889 0.68 PLOD2 (0.64) PLOD2PLOD3PLOD1MAPTALDH1A1
SCHEMBL16930080 0.67 SMPD1 (0.51) PLOD2MAPTMEN1ALDH1A1GAA
SCHEMBL22805972 0.66 PLOD2 (0.66) PLOD2PLOD3PLOD1MAPTMEN1
SCHEMBL6513893 0.66 PLOD2 (0.43) PLOD2PLOD3PLOD1IMPDH2IMPDH1

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-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents ANDO KAZUO (JP) 2002-04-18 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-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGER1, PTGS1 PLOD2 4308/4885PLOD3 3490/4885PLOD1 4213/4885

“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.