SCHEMBL5132074

SCHEMBL5132074

O=C(COCC1CCCN1S(=O)(=O)c1c(Cl)cccc1Cl)N1CCC(O)(c2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 10/20 0.43
HSD11B1 P28845 1/20 0.40
CHRM4 P08173 2/20 0.39
ALDH1A1 P00352 1/20 0.38
ATM Q13315 1/20 0.38
HCRTR2 O43614 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX2 P34913 1/20 0.37
CNR1 P21554 1/20 0.37

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 0.92 CCR1 (0.44) CCR1ATMMEN1KMT2A
SCHEMBL3825150 0.90 ALDH1A1 (0.47) CCR1ALDH1A1ATMMEN1KMT2A
SCHEMBL5131509 0.90 CCR1 (0.43) CCR1ATMMEN1KMT2ACNR1
SCHEMBL5127990 0.89 CHRM4 (0.41) HSD11B1CHRM4MEN1KMT2A
SCHEMBL5125564 0.89 CHRM4 (0.45) CHRM4MEN1KMT2A
SCHEMBL5127118 0.88 PKLR (0.42) ALDH1A1ATMEPHX2
SCHEMBL5121787 0.88 ALDH1A1 (0.47) CCR1ALDH1A1ATMMEN1KMT2A
SCHEMBL3827383 0.87 CHRM4 (0.40) HSD11B1CHRM4MEN1KMT2A
SCHEMBL5127145 0.86 OPRM1 (0.46) CCR1
SCHEMBL5126195 0.86 OPRL1 (0.45) CHRM4MEN1KMT2ACNR1

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 598/4885HSD11B1 2319/4885CHRM4 891/4885

“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.