SCHEMBL4199245

SCHEMBL4199245

COc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)c2c1C[C@@H](N(C)C)CO2

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.49
QRFPR Q96P65 1/20 0.49
GAA P10253 1/20 0.44
PTGDR2 Q9Y5Y4 3/20 0.43
PTGDR Q13258 2/20 0.43
ERAP1 Q9NZ08 4/20 0.41
ERAP2 Q6P179 2/20 0.41
MCL1 Q07820 5/20 0.39
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KIF11 P52732 1/20 0.38
MOGAT2 Q3SYC2 1/20 0.38
CCKBR P32239 1/20 0.38

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
SCHEMBL4201193 0.93 HTR6 (0.47) HTR6QRFPRERAP1ERAP2MCL1
SCHEMBL4197760 0.89 HTR6 (0.51) HTR6QRFPRGAAUSP2ALDH1A1
SCHEMBL4202446 0.89 HTR6 (0.44) HTR6QRFPRERAP1ERAP2MCL1
SCHEMBL4202352 0.89 HTR6 (0.59) HTR6QRFPRPTGDR2PTGDRUSP2
SCHEMBL4209482 0.89 HTR6 (0.46) HTR6QRFPRERAP1ERAP2KIF11
SCHEMBL4199399 0.86 HTR6 (0.49) HTR6QRFPRUSP2ALDH1A1TP53
SCHEMBL4211828 0.85 KMT2A (0.45) HTR6QRFPRGAAKIF11
SCHEMBL4204701 0.85 PSEN1 (0.48) HTR6QRFPRGAAERAP1ERAP2
SCHEMBL4198408 0.85 HTR6 (0.49) HTR6QRFPRUSP2ALDH1A1TP53
SCHEMBL4202460 0.85 HTR6 (0.51) HTR6QRFPRUSP2ALDH1A1TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090030038-A1 Novel 8-Sulfonylamino-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5Ht6 Receptor ASTRAZENECA AB (SE) 2009-01-29 US claimed
US-20090030038-A1 Novel 8-Sulfonylamino-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5Ht6 Receptor ASTRAZENECA AB (SE) 2009-01-29 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-20090030038-A1 Novel 8-Sulfonylamino-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5Ht6 Receptor HTR6, HTR1A, HTR1D HTR6 1/4885QRFPR 81/4885GAA 4045/4885

“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.