SCHEMBL4515527

SCHEMBL4515527

COc1ccc(S(=O)(=O)Nc2cc3ccccc3cn2)c2c1C[C@@H](NC(=O)C(F)(F)F)CC2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.39
QRFPR Q96P65 1/20 0.39
HSD11B1 P28845 1/20 0.38
HSD17B2 P37059 1/20 0.38
ALPL P05186 5/20 0.38
MTNR1A P48039 6/20 0.37
MTNR1B P49286 6/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ACHE P22303 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4514462 0.87 ALDH1A1 (0.48) HTR6QRFPRMTNR1AMTNR1BSMN1; SMN2
SCHEMBL4510831 0.86 PKM (0.39) HTR6QRFPRHSD11B1HSD17B2MTNR1A
SCHEMBL4965833 0.86 PKM (0.39) HTR6QRFPRHSD11B1HSD17B2MTNR1A
SCHEMBL4503366 0.86 ALDH1A1 (0.50) HTR6QRFPRMTNR1AMTNR1BCYP1A2
SCHEMBL4964720 0.85 ALPL (0.55) ALPLLMNASMN1; SMN2
SCHEMBL4521478 0.85 ALPL (0.55) ALPLLMNASMN1; SMN2
SCHEMBL4519515 0.84 MTNR1A (0.42) HTR6QRFPRHSD11B1HSD17B2MTNR1A
SCHEMBL4510840 0.83 HSD11B1 (0.48) HTR6QRFPRHSD11B1HSD17B2MTNR1A
SCHEMBL4503431 0.82 ADRA1A (0.47) HTR6QRFPRHSD11B1HSD17B2ALPL
SCHEMBL4518286 0.81 ALPL (0.51) ALPLLMNA

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 HTR6 1/4885QRFPR 79/4885HSD11B1 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.