SCHEMBL700207

SCHEMBL700207

CCOC(=O)CCC1(c2cccc(C(F)(F)F)c2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.54
ALDH1A1 P00352 2/20 0.44
CCR5 P51681 5/20 0.42
ALOX15 P16050 1/20 0.42
EPHX2 P34913 1/20 0.42
NOTCH1 P46531 1/20 0.41
MGLL Q99685 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
TRPV4 Q9HBA0 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.39
GRM5 P41594 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL703588 0.89 TACR1 (0.46) TACR1ALDH1A1CCR5HPGDHTT
SCHEMBL700357 0.87 CCR5 (0.55) TACR1CCR5ATMGRM5
SCHEMBL11919549 0.86 TACR1 (0.53) TACR1CCR5ALOX15ATM
SCHEMBL702100 0.84 TACR1 (0.57) TACR1CCR5EPHX2NOTCH1ATM
SCHEMBL703109 0.84 TACR1 (0.61) TACR1CCR5ALOX15NOTCH1ATM
SCHEMBL4407248 0.82 TACR1 (0.62) TACR1CCR5ALOX15EPHX2ATM
SCHEMBL10246597 0.81 TACR1 (0.54) TACR1CCR5EPHX2SMN1; SMN2
SCHEMBL433709 0.81 GAA (0.43) ALDH1A1EPHX2TRPV4SMN1; SMN2
SCHEMBL702191 0.81 NAMPT (0.46) TACR1CCR5
SCHEMBL14272924 0.81 CCR5 (0.47) TACR1ALDH1A1CCR5HTTMEN1

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 8 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-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
US-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
EP-2262791-A2 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-22 EP disclosed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
WO-2009124734-A2 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-10-15 WO 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 TACR1 18/4885ALDH1A1 958/4885CCR5 1218/4885

“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.