SCHEMBL4507652

SCHEMBL4507652

COc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c2c1C[C@@H](N)CC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.57
HPGD P15428 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MEN1 O00255 3/20 0.53
LMNA P02545 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 2/20 0.53
PKM P14618 2/20 0.53
TSHR P16473 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HTR6 P50406 1/20 0.52
QRFPR Q96P65 1/20 0.52
ADRA1A P35348 2/20 0.48
PI4KB Q9UBF8 2/20 0.46
HSD11B1 P28845 1/20 0.46
HSD17B2 P37059 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
SLC22A12 Q96S37 1/20 0.41
FABP4 P15090 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
SCHEMBL4960350 1.00 THRB (0.57) THRBHPGDSMN1; SMN2MEN1LMNA
SCHEMBL4518506 0.91 HTR6 (0.52) THRBHPGDSMN1; SMN2MEN1LMNA
SCHEMBL4963653 0.91 HTR6 (0.52) THRBHPGDSMN1; SMN2MEN1LMNA
SCHEMBL4514313 0.91 ADRA1A (0.51) THRBHPGDSMN1; SMN2MEN1LMNA
SCHEMBL4962886 0.88 HTR6 (0.57) MEN1LMNAKMT2AALDH1A1PKM
SCHEMBL4512908 0.88 HTR6 (0.57) MEN1LMNAKMT2AALDH1A1PKM
SCHEMBL4516618 0.87 HTR6 (0.56) SMN1; SMN2NPSR1HTR6QRFPRADRA1A
SCHEMBL4958896 0.87 HTR6 (0.56) SMN1; SMN2NPSR1HTR6QRFPRADRA1A
SCHEMBL4519217 0.87 HTR6 (0.70) THRBHPGDSMN1; SMN2MEN1LMNA
SCHEMBL4527076 0.85 THRB (0.56) THRBHPGDSMN1; SMN2MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560460-B2 Substituted piperazines and methods of use AMGEN INC. (US) 2009-07-14 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
US-20090099187-A1 Novel 8-Sulfonyl-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5HT6 Receptor ASTRAZENECA AB (SE) 2009-04-16 US disclosed
EP-1888518-A1 NOVEL 8-SULFONYL-3 AMINOSUBSTITUTED CHROMAN OR TETRAHYDRONAPHTALENE DERIVATIVES MODULATING THE 5HT6 RECEPTOR AstraZeneca AB (SE) 2008-02-20 EP disclosed
US-20070265248-A1 Substituted piperazines and methods of use AMGEN INC. (US) 2007-11-15 US disclosed
WO-2006126938-A1 NOVEL 8-SULFONYL-3 AMINOSUBSTITUTED CHROMAN OR TETRAHYDRONAPHTALENE DERIVATIVES MODULATING THE 5HT6 RECEPTOR ASTRAZENECA AB (SE) 2006-11-30 WO 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 (2 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-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R THRB 290/4885HPGD 614/4885SMN1; SMN2 2870/4885
US-20090099187-A1 Novel 8-Sulfonyl-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5HT6 Receptor HTR6, HTR1D, HTR1A THRB 485/4885HPGD 2286/4885SMN1; SMN2 2149/4885

“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.