SCHEMBL701062

SCHEMBL701062

O=C(COCC1COc2ccccc2N1S(=O)(=O)c1ccccc1C(F)(F)F)N1CCC(CCCN2CCCC2)(c2cccnc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.34
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
CACNA1B Q00975 2/20 0.31
HSD11B1 P28845 3/20 0.31
POLB P06746 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
EPHX2 P34913 1/20 0.31
CCR5 P51681 1/20 0.31
CCR1 P32246 1/20 0.31
TIPARP Q7Z3E1 1/20 0.30
NPC1 O15118 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL700983 0.93 LMNA (0.34) TACR1LMNAPKMCACNA1BPOLB
SCHEMBL4300130 0.89 LMNA (0.33) TACR1LMNAPKMCACNA1BPOLB
SCHEMBL703365 0.86 TACR1 (0.36) TACR1HSD11B1EPHX2CCR5CCR1
SCHEMBL702190 0.85 NPC1 (0.37) LMNAADRA2AADRA2BADRA2CNPC1
SCHEMBL700168 0.84 ADAMTS5 (0.33) ADRA2AADRA2BADRA2CCCR1NPC1
SCHEMBL4299461 0.83 LMNA (0.34) TACR1LMNAPKMCACNA1BPOLB
SCHEMBL4298342 0.80 LMNA (0.35) TACR1LMNAPKMCACNA1BPOLB
SCHEMBL702140 0.79 KMT2A (0.37) TACR1POLBCCR5CCR1TIPARP
SCHEMBL701011 0.78 NPC1 (0.38) LMNAPOLBNPC1
SCHEMBL701104 0.77 HTR7 (0.39) TACR1HSD11B1EPHX2

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 6 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
EP-2262791-A2 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-22 EP claimed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US claimed
WO-2009124734-A2 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-10-15 WO claimed
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 TACR1 18/4885LMNA 2119/4885PKM 1715/4885

“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.