SCHEMBL4530996

SCHEMBL4530996

COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c2c1C[C@@H](NC(=O)O)CO2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
IDH1 O75874 8/20 0.44
HSD11B1 P28845 1/20 0.43
HSD17B2 P37059 1/20 0.43
ALPL P05186 1/20 0.42
CPT2 P23786 1/20 0.41
CPT1A P50416 1/20 0.41
CPT1B Q92523 1/20 0.41
CDK1 P06493 2/20 0.41
CCNB1 P14635 2/20 0.41
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
CDK7 P50613 2/20 0.41
CCNH P51946 2/20 0.41
CCNA1 P78396 2/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 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
SCHEMBL4527771 0.92 MAPT (0.46) MAPTIDH1HSD11B1HSD17B2ALPL
SCHEMBL13889138 0.92 MAPT (0.46) MAPTIDH1HSD11B1HSD17B2ALPL
SCHEMBL4512114 0.90 MAPT (0.49) MAPTIDH1HSD11B1HSD17B2ALPL
SCHEMBL4520236 0.90 MEN1 (0.44) IDH1ALPLMAPK1MEN1KMT2A
SCHEMBL4513550 0.87 FABP4 (0.44) MAPTHSD11B1HSD17B2MEN1LMNA
SCHEMBL4512520 0.85 MAPT (0.49) MAPTIDH1HSD11B1HSD17B2ALPL
SCHEMBL4512345 0.83 FABP4 (0.41) MAPTHSD11B1HSD17B2MEN1LMNA
SCHEMBL4510226 0.82 MALT1 (0.42) HSD11B1HSD17B2CDK1CCNB1CCNA2
SCHEMBL4523963 0.82 MEN1 (0.44) MAPTIDH1ALPLMAPK1MEN1
SCHEMBL13889137 0.81 MEN1 (0.42) IDH1ALPLMAPK1MEN1LMNA

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-20090099187-A1 Novel 8-Sulfonyl-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5HT6 Receptor ASTRAZENECA AB (SE) 2009-04-16 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-20090099187-A1 Novel 8-Sulfonyl-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5HT6 Receptor HTR6, HTR1D, HTR1A MAPT 2173/4885IDH1 4595/4885HSD11B1 2184/4885

“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.