SCHEMBL642014

SCHEMBL642014

COc1cc(C)c(S(=O)(=O)N2CCC(CCS(=O)(=O)N3CCN(c4ccncc4)CC3)C2)c(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
EPHX2 P34913 1/20 0.41
ACVR1B P36896 1/20 0.39
TGFBR1 P36897 1/20 0.39
ACVR1 Q04771 1/20 0.39
CYP19A1 P11511 3/20 0.38
KMT2A Q03164 2/20 0.38
CHRM1 P11229 2/20 0.37
F10 P00742 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 2/20 0.35
FPR2 P25090 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
SCHEMBL3336572 0.86 CHRM1 (0.40) EPHX2CHRM1ALDH1A1NPSR1
Hydrochloric Acid SCHEMBL641578 0.85 CHRM1 (0.40) EPHX2CHRM1ALDH1A1NPSR1
SCHEMBL3338008 0.80 EPHX2 (0.42) EPHX2CYP19A1KMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL639403 0.79 EPHX2 (0.41) EPHX2CYP19A1KMT2AMEN1ALDH1A1
SCHEMBL640785 0.78 EPHX2 (0.40) EPHX2CYP19A1KMT2AMEN1ALDH1A1
SCHEMBL639185 0.78 MEN1 (0.46) EPHX2KMT2ACHRM1MEN1LMNA
Hydrochloric Acid SCHEMBL639042 0.77 EPHX2 (0.40) EPHX2CYP19A1KMT2AMEN1ALDH1A1
SCHEMBL10205632 0.74 F10 (0.46) THRBCYP19A1CHRM1F10TP53
Hydrochloric Acid SCHEMBL3340280 0.73 F10 (0.45) THRBCYP19A1CHRM1F10TP53
SCHEMBL10205617 0.73 EPHX2 (0.39) EPHX2CYP19A1KMT2AMEN1ALDH1A1

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-8119805-B2 Substituted disulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-21 US claimed
US-20100152158-A1 Substituted Disulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-06-17 US claimed
US-8119805-B2 Substituted disulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed
US-8119805-B2 Substituted disulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed
US-8119805-B2 Substituted disulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed
US-20100152158-A1 Substituted Disulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-06-17 US disclosed
US-20100152158-A1 Substituted Disulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-06-17 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-20100152158-A1 Substituted Disulfonamide Compounds BDKRB1, BDKRB2, BRS3 THRB 226/4885EPHX2 3092/4885ACVR1B 618/4885

“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.