SCHEMBL640785

SCHEMBL640785

COc1cc(C)c(S(=O)(=O)N2CCCC(CCS(=O)(=O)N3CCC(CCN4CCCC4)CC3)C2)c(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
CYP19A1 P11511 8/20 0.39
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR6 P50406 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AVPR1A P37288 1/20 0.35
ACHE P22303 1/20 0.34
HTR4 Q13639 1/20 0.34

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
Hydrochloric Acid SCHEMBL639042 0.99 EPHX2 (0.40) EPHX2CYP19A1TSHRNPSR1KMT2A
SCHEMBL3338008 0.97 EPHX2 (0.42) EPHX2CYP19A1TSHRNPSR1KMT2A
Hydrochloric Acid SCHEMBL639403 0.96 EPHX2 (0.41) EPHX2CYP19A1TSHRNPSR1KMT2A
SCHEMBL10205617 0.95 EPHX2 (0.39) EPHX2CYP19A1TSHRNPSR1KMT2A
Hydrochloric Acid SCHEMBL640205 0.94 EPHX2 (0.39) EPHX2CYP19A1TSHRNPSR1KMT2A
SCHEMBL639705 0.85 EPHX2 (0.37) EPHX2TSHRKMT2AMEN1ALDH1A1
SCHEMBL3337535 0.85 EBP (0.38) EPHX2CYP19A1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL640337 0.84 EBP (0.37) EPHX2ALDH1A1
SCHEMBL13302192 0.83 TSHR (0.37) EPHX2CYP19A1TSHRNPSR1ALDH1A1
SCHEMBL639078 0.83 EBP (0.48) EPHX2NPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2350003-A1 SUBSTITUTED DISULFONAMIDES AS BRI-MODULATORS Grünenthal GmbH (DE) 2011-08-03 EP 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
US-20100152158-A1 Substituted Disulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-06-17 US disclosed
WO-2010051977-A1 SUBSTITUTED DISULFONAMIDES AS BRI-MODULATORS Grünenthal GmbH (DE) 2010-05-14 WO disclosed
WO-2010051977-A1 SUBSTITUTED DISULFONAMIDES AS BRI-MODULATORS Grünenthal GmbH (DE) 2010-05-14 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 (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 EPHX2 3092/4885CYP19A1 2236/4885TSHR 287/4885

“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.