SCHEMBL1460044

SCHEMBL1460044

Cc1cccc(S(=O)(=O)N(C)Br)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
KMT2A Q03164 2/20 0.49
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
HCRTR2 O43614 1/20 0.43
GLA P06280 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NLRP3 Q96P20 1/20 0.42
DRD2 P14416 1/20 0.42
HTR1D P28221 1/20 0.42
HTR7 P34969 1/20 0.42
DRD3 P35462 1/20 0.42
C5AR1 P21730 1/20 0.42

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
SCHEMBL312769 0.84 RAB9A (0.56) HTR2AHTR2CKMT2ACNR1CNR2
SCHEMBL11745452 0.83 HTR2A (0.50) HTR2AHTR2CKMT2ACNR1CNR2
SCHEMBL11702941 0.79 HTR2A (0.50) HTR2AHTR2CKMT2ACNR1CNR2
SCHEMBL1940026 0.78 KMT2A (0.50) HTR2AHTR2CKMT2ACNR1CNR2
SCHEMBL2055333 0.78 CNR2 (0.51) HTR2AHTR2CKMT2ACNR1CNR2
SCHEMBL5169756 0.77 APOBEC3G (0.54) HTR2AHTR2CKMT2AMEN1ALDH1A1
SCHEMBL18088392 0.77 CA12 (0.67) HTR2CALDH1A1CYP3A4CYP2C9HPGD
SCHEMBL9860335 0.76 ALDH1A1 (0.71) KMT2ACNR1CNR2HCRTR2MEN1
SCHEMBL5852430 0.75 MAPT (0.61) HTR2AHTR2CCNR2GLAC5AR1
SCHEMBL4619061 0.75 KMT2A (0.55) HTR2AHTR2CKMT2AMEN1ALDH1A1

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
EP-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP disclosed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 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-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ORAI1, RYR2, CACNA1E HTR2A 207/4885HTR2C 164/4885KMT2A 4184/4885

“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.