SCHEMBL704837

SCHEMBL704837

CCN(CCCC(=O)N1CCC(CCCN2CCCC2)(c2cccnc2)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
TACR1 P25103 3/20 0.39
CCR2 P41597 1/20 0.37
LMNA P02545 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
GAA P10253 3/20 0.37
MAPT P10636 2/20 0.37
XBP1 P17861 1/20 0.37
HTT P42858 1/20 0.37
PAX8 Q06710 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 2/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL702160 0.92 TACR1 (0.41) KDM4EALDH1A1TDP1TACR1CCR2
SCHEMBL700014 0.79 BDKRB1 (0.46) CCR2CYP11B1CYP11B2
SCHEMBL3441805 0.77 MEN1 (0.43) ALDH1A1LMNAKMT2ANAMPT
SCHEMBL708425 0.76 MEN1 (0.45) ALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL700135 0.75 BDKRB1 (0.47) CCR2CYP11B1CYP11B2
SCHEMBL704838 0.74 CCR1 (0.41) ALDH1A1TACR1GAATSHR
SCHEMBL699865 0.74 BDKRB1 (0.48) TACR1CCR2KMT2A
SCHEMBL4294627 0.73 MEN1 (0.46) ALDH1A1TACR1LMNAGAASMN1; SMN2
SCHEMBL703279 0.72 BDKRB1 (0.49) CCR2KMT2A
SCHEMBL701128 0.71 MEN1 (0.45) KDM4EALDH1A1LMNAGAAKMT2A

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-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 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-20090264407-A1 Substituted Sulfonamide Compounds CNR1, SUCNR1, OPRL1 KDM4E 4420/4885ALDH1A1 958/4885TDP1 4586/4885

“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.