SCHEMBL702160

SCHEMBL702160

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.41
CCR2 P41597 1/20 0.38
NAMPT P43490 3/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
VNN1 O95497 1/20 0.36
KMT2A Q03164 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ABCB11 O95342 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
PKM P14618 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
SCHEMBL704837 0.92 KDM4E (0.40) TACR1CCR2NAMPTKDM4EALDH1A1
SCHEMBL700014 0.80 BDKRB1 (0.46) CCR2CYP11B1CYP11B2
SCHEMBL4292731 0.78 TACR1 (0.40) TACR1KDM4EALDH1A1TDP1KMT2A
SCHEMBL3441805 0.76 MEN1 (0.43) NAMPTALDH1A1KMT2A
SCHEMBL699865 0.76 BDKRB1 (0.48) TACR1CCR2KMT2A
SCHEMBL700135 0.75 BDKRB1 (0.47) CCR2CYP11B1CYP11B2
SCHEMBL708425 0.74 MEN1 (0.45) ALDH1A1KMT2A
SCHEMBL703279 0.74 BDKRB1 (0.49) CCR2KMT2A
SCHEMBL704838 0.74 CCR1 (0.41) TACR1ALDH1A1TSHRALOX15
SCHEMBL4294627 0.73 MEN1 (0.46) TACR1ALDH1A1KMT2APKM

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 claimed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US claimed

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 TACR1 18/4885CCR2 784/4885NAMPT 2136/4885

“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.