SCHEMBL3413016

SCHEMBL3413016

COc1cc(C)c(S(=O)(=O)N2CCCC2COCC(=O)NCC2CCC(c3ccccc3)(N3CCOCC3)CC2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.39
FAAH O00519 1/20 0.37
ACHE P22303 1/20 0.37
PTGIR P43119 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 1/20 0.36
MAPT P10636 1/20 0.34
PAX8 Q06710 1/20 0.34

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
SCHEMBL3411038 0.98 RAB9A (0.37) RAB9AFAAHACHEPTGIRSMN1; SMN2
SCHEMBL3411158 0.90 ATM (0.37) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL3412336 0.89 FAAH (0.39) RAB9AFAAHACHEPTGIRSMN1; SMN2
SCHEMBL3405474 0.88 ATM (0.39) RAB9ASMN1; SMN2MEN1KMT2ALMNA
SCHEMBL3406342 0.84 RAB9A (0.39) RAB9ASMN1; SMN2LMNANPC1ALDH1A1
SCHEMBL493546 0.83 RAB9A (0.39) RAB9AFAAHACHEPTGIRSMN1; SMN2
SCHEMBL3410511 0.83 NPY1R (0.38) RAB9ASMN1; SMN2MEN1KMT2ALMNA
SCHEMBL3407479 0.82 SMN1; SMN2 (0.38) FAAHACHESMN1; SMN2MEN1KMT2A
SCHEMBL3407985 0.82 BDKRB1 (0.49)
SCHEMBL493010 0.81 PTGIR (0.37) RAB9AFAAHACHEPTGIRSMN1; SMN2

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
EP-2257527-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-08 EP claimed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US claimed
WO-2009115257-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-24 WO claimed
EP-2257527-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-08 EP disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
WO-2009115257-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-24 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-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 RAB9A 2485/4885FAAH 438/4885ACHE 3955/4885

“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.