SCHEMBL6741308

SCHEMBL6741308

COC(=O)c1ccc(-c2ccc(-c3ccccc3)cc2OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.61
PTGS2 P35354 1/20 0.52
PDK2 Q15119 2/20 0.45
SGK1 O00141 1/20 0.45
CAMKK2 Q96RR4 1/20 0.45
SLC2A1 P11166 1/20 0.45
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
ACLY P53396 1/20 0.43
PTPN1 P18031 2/20 0.43
CA14 Q9ULX7 2/20 0.43
TSHR P16473 1/20 0.42
PLAU P00749 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
PTPRC P08575 1/20 0.41
PTPRF P10586 1/20 0.41
CDC25B P30305 1/20 0.41

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
SCHEMBL5847620 1.00 EGFR (0.61) EGFRPTGS2PDK2SGK1CAMKK2
SCHEMBL19125475 0.91 PTGS2 (0.55) EGFRPTGS2PDK2CA12CA1
SCHEMBL18822403 0.90 PTGS2 (0.50) EGFRPTGS2PDK2SLC2A1CA12
SCHEMBL7789650 0.88 EGFR (0.56) EGFRPDK2RAB9A
SCHEMBL19111156 0.87 EGFR (0.46) EGFRPTGS2SLC2A1CA12CA1
SCHEMBL36203 0.84 PTGS2 (0.55) EGFRPTGS2PDK2CA12CA1
SCHEMBL18822400 0.84 CA12 (0.46) EGFRCA12CA1CA2CA9
SCHEMBL8441560 0.81 S100A4 (0.43) EGFRPTGS2PDK2MAPT
SCHEMBL14511810 0.80 PTGS2 (0.44) EGFRPTGS2CA12CA1CA2
SCHEMBL6132404 0.79 STS (0.59) EGFRCA12CA1CA2CA9

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-20040030141-A1 Biphenyl derivatives substituted with an aromatic or heteroaromatic radical, and pharmaceutical and cosmetic compositions containing them GALDERMA RESEARCH & DEVELOPMENT 2004-02-12 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-20040030141-A1 Biphenyl derivatives substituted with an aromatic or heteroaromatic radical, and pharmaceutical and cosmetic compositions containing them AHR, TYR, CYP1A1 EGFR 227/4885PTGS2 2762/4885PDK2 1671/4885

“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.