SCHEMBL4510217

SCHEMBL4510217

COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c2c1C[C@@H](NC(=O)C(F)(F)F)CC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.50
HSD17B2 P37059 1/20 0.50
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR6 P50406 1/20 0.43
QRFPR Q96P65 1/20 0.43
TRIM24 O15164 1/20 0.42
ALPL P05186 1/20 0.42
IDH1 O75874 5/20 0.42
TRPV4 Q9HBA0 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

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
SCHEMBL4510840 0.89 HSD11B1 (0.48) HSD11B1HSD17B2MAPTTSHRHTR6
SCHEMBL4519102 0.85 HTR6 (0.49) HSD11B1HSD17B2MAPTSMN1; SMN2HTR6
SCHEMBL4527771 0.85 MAPT (0.46) HSD11B1HSD17B2MAPTMEN1LMNA
SCHEMBL4518286 0.84 ALPL (0.51) LMNAALPL
SCHEMBL4517130 0.84 HTR6 (0.49) HSD11B1HSD17B2MAPTLMNAHTR6
SCHEMBL4961497 0.84 THRB (0.50) HSD11B1HSD17B2MAPTMEN1LMNA
SCHEMBL4509184 0.84 THRB (0.50) HSD11B1HSD17B2MAPTMEN1LMNA
SCHEMBL4518470 0.84 HSD11B1 (0.53) HSD11B1HSD17B2MAPTMEN1LMNA
SCHEMBL4519515 0.82 MTNR1A (0.42) HSD11B1HSD17B2MAPTHTR6QRFPR
SCHEMBL4521478 0.81 ALPL (0.55) LMNASMN1; SMN2ALPL

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 3 patents. 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
US-20090099187-A1 Novel 8-Sulfonyl-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5HT6 Receptor ASTRAZENECA AB (SE) 2009-04-16 US disclosed
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 HSD11B1 2184/4885HSD17B2 2494/4885MAPT 2173/4885

“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.