SCHEMBL5128573

SCHEMBL5128573

O=C(COCC1CCCN1S(=O)(=O)c1c(Cl)cccc1Cl)N1CCC(O)(c2ccc(Br)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 15/20 0.44
GCGR P47871 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
ATM Q13315 1/20 0.36

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
SCHEMBL5131509 0.97 CCR1 (0.43) CCR1GCGRMEN1KMT2ACA12
SCHEMBL5132074 0.92 CCR1 (0.43) CCR1MEN1KMT2AATM
SCHEMBL5123720 0.89 S1PR2 (0.42) CCR1GCGRCA12CA1CA2
SCHEMBL3825150 0.86 ALDH1A1 (0.47) CCR1MEN1KMT2AATM
SCHEMBL5127145 0.86 OPRM1 (0.46) CCR1
SCHEMBL5125564 0.85 CHRM4 (0.45) MEN1KMT2A
SCHEMBL2563798 0.84 ALDH1A1 (0.44) MEN1KMT2A
SCHEMBL5129027 0.84 CCR1 (0.39) CCR1GCGRMEN1KMT2ACA12
SCHEMBL5131948 0.84 BDKRB1 (0.42)
SCHEMBL5121787 0.84 ALDH1A1 (0.47) CCR1MEN1KMT2AATM

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
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US claimed
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 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-20080249128-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 CCR1 598/4885GCGR 440/4885MEN1 1340/4885

“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.