SCHEMBL3477592

SCHEMBL3477592

O=S(=O)(Nc1ncc(F)cn1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
IL1RN P18510 1/20 0.50
KEAP1 Q14145 1/20 0.50
ERAP1 Q9NZ08 1/20 0.50
SCN9A Q15858 1/20 0.49
SLC40A1 Q9NP59 1/20 0.49
POLB P06746 1/20 0.49
AURKA O14965 1/20 0.49
DHFR P00374 1/20 0.49
LMNA P02545 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL21753108 0.82 TSHR (0.60) TSHRNPSR1IL1RNKEAP1ERAP1
SCHEMBL3476966 0.81 PPARG (0.54) TSHRNPSR1IL1RNKEAP1ERAP1
SCHEMBL332569 0.81 TSHR (0.70) TSHRNPSR1IL1RNKEAP1ERAP1
SCHEMBL1093189 0.79 POLB (0.67) SCN9APOLBALDH1A1PKM
SCHEMBL23567060 0.78 LMNA (0.73) TSHRNPSR1KEAP1SLC40A1POLB
SCHEMBL3475805 0.78 SCN9A (0.56) TSHRNPSR1IL1RNKEAP1ERAP1
SCHEMBL2526996 0.78 TSHR (0.54) TSHRNPSR1IL1RNKEAP1ERAP1
SCHEMBL1094148 0.78 GLO1 (0.54) SCN9ASLC40A1
SCHEMBL24309650 0.77 NPSR1 (0.50) TSHRNPSR1IL1RNKEAP1ERAP1
Phenyl(Phenylsulfonyl)Amine SCHEMBL4080552 0.75 KEAP1 (0.71) TSHRNPSR1IL1RNKEAP1ERAP1

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-8907101-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2014-12-09 US disclosed
EP-2773637-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2014-09-10 EP disclosed
US-20130338111-A1 Sulfonamide Derivatives ICAGEN, INC. (US) 2013-12-19 US disclosed
WO-2013064983-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2013-05-10 WO disclosed
US-20120149679-A1 Sulfonamide Derivatives ICAGEN, INC. 2012-06-14 US disclosed
US-20100197655-A1 SULFONAMIDE DERIVATIVES Pfizer Limited Icagen, Inc. 2010-08-05 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 (3 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-20100197655-A1 SULFONAMIDE DERIVATIVES SULT2A1, SULT1A1, TPST2 TSHR 3237/4885NPSR1 148/4885IL1RN 3377/4885
US-20130338111-A1 Sulfonamide Derivatives SULT2A1, SULT1A1, TPST2 TSHR 3237/4885NPSR1 148/4885IL1RN 3377/4885
US-20120149679-A1 Sulfonamide Derivatives SULT2A1, SULT1A1, TPST2 TSHR 3237/4885NPSR1 148/4885IL1RN 3377/4885

“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.