SCHEMBL5131509

SCHEMBL5131509

O=C(COCC1CCCCN1S(=O)(=O)c1c(Cl)cccc1Cl)N1CCC(O)(c2ccc(Br)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 12/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GCGR P47871 1/20 0.38
ATM Q13315 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
RECQL P46063 1/20 0.35
CNR1 P21554 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
SCHEMBL5128573 0.97 CCR1 (0.44) CCR1MEN1KMT2AGCGRATM
SCHEMBL5132074 0.90 CCR1 (0.43) CCR1MEN1KMT2AATMCNR1
SCHEMBL5123720 0.86 S1PR2 (0.42) CCR1GCGRCA12CA1CA2
SCHEMBL5121787 0.86 ALDH1A1 (0.47) CCR1MEN1KMT2AATM
SCHEMBL5126207 0.86 OPRM1 (0.47) CCR1
SCHEMBL5126195 0.85 OPRL1 (0.45) MEN1KMT2ACNR1
SCHEMBL2568311 0.85 ALDH1A1 (0.43) MEN1KMT2AATMCNR1
SCHEMBL5132121 0.85 BDKRB1 (0.41)
SCHEMBL5125509 0.84 ATM (0.37) CCR1MEN1KMT2AATMCNR1
SCHEMBL3825150 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 598/4885MEN1 1340/4885KMT2A 2892/4885

“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.