SCHEMBL704838

SCHEMBL704838

CCc1c(C(F)(F)F)cccc1S(=O)(=O)NCCCC(=O)N1CCC(CCCN2CCCC2)(c2cccnc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 6/20 0.41
GFER P55789 1/20 0.39
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
P2RX7 Q99572 2/20 0.34
SFRP1 Q8N474 1/20 0.34
TACR1 P25103 1/20 0.34
CHRM1 P11229 2/20 0.33
PTGES O14684 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HSD11B1 P28845 2/20 0.32
CCR5 P51681 1/20 0.32

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
SCHEMBL3441805 0.77 MEN1 (0.43) ALDH1A1CCR5
SCHEMBL701104 0.77 HTR7 (0.39) TACR1ALDH1A1HSD11B1
SCHEMBL708425 0.75 MEN1 (0.45) CCR1P2RX7ALDH1A1CCR5
SCHEMBL704837 0.74 KDM4E (0.40) TSHRTACR1ALDH1A1GAA
SCHEMBL702160 0.74 TACR1 (0.41) ALOX15TSHRTACR1ALDH1A1
SCHEMBL4294627 0.72 MEN1 (0.46) CCR1TACR1ALDH1A1GAACCR5
SCHEMBL703365 0.72 TACR1 (0.36) CCR1TACR1HSD11B1CCR5
SCHEMBL701128 0.71 MEN1 (0.45) CCR1ALOX15ALDH1A1GAACCR5
SCHEMBL700251 0.70 CCR5 (0.57) TACR1CCR5
SCHEMBL709333 0.70 MEN1 (0.47) P2RX7ALDH1A1

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 CCR1 1126/4885GFER 482/4885ALOX15 1064/4885

“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.