SCHEMBL2402137

SCHEMBL2402137

O=C([C@H]1CC[C@H](NS(=O)(=O)c2ccc(Cl)nc2)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
POLB P06746 1/20 0.45
CHRM1 P11229 1/20 0.44
CNR1 P21554 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
IRAK4 Q9NWZ3 2/20 0.41
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2403512 0.98 ALDH1A1 (0.61) ALDH1A1POLBCHRM1CNR1HRH3
SCHEMBL2401347 0.84 ALDH1A1 (0.55) ALDH1A1CHRM1CNR1HRH3MEN1
SCHEMBL2405450 0.83 DRD2 (0.55) ALDH1A1POLBCNR1MEN1KMT2A
SCHEMBL2401119 0.83 ALDH1A1 (0.50) ALDH1A1POLBHRH3MEN1KMT2A
SCHEMBL2401122 0.83 ALDH1A1 (0.50) ALDH1A1POLBHRH3MEN1KMT2A
SCHEMBL2404100 0.82 CNR1 (0.47) ALDH1A1POLBCNR1MEN1KMT2A
SCHEMBL2404102 0.82 CNR1 (0.47) ALDH1A1POLBCNR1MEN1KMT2A
SCHEMBL2405877 0.81 KMT2A (0.58) ALDH1A1POLBCHRM1HRH3MEN1
SCHEMBL2405879 0.81 KMT2A (0.58) ALDH1A1POLBCHRM1HRH3MEN1
SCHEMBL2402205 0.81 ALDH1A1 (0.50) ALDH1A1POLBCHRM1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017773-B2 Cyclohexyl sulfonamide derivatives HOFFMANN-LA ROCHE INC. (US) 2011-09-13 US disclosed
US-20070173511-A1 Cyclohexyl sulfonamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 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-20070173511-A1 Cyclohexyl sulfonamide derivatives HRH3, HRH4, HRH1 ALDH1A1 430/4885POLB 4404/4885CHRM1 67/4885

“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.