SCHEMBL17813852

SCHEMBL17813852

CCc1cccc(C)c1NS(=O)(=O)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 3/20 0.48
GLO1 Q04760 1/20 0.48
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
KMT2A Q03164 1/20 0.46
MAPT P10636 2/20 0.46
TP53 P04637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
POLB P06746 2/20 0.45
BRD4 O60885 1/20 0.45
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
TSHR P16473 1/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL5162165 0.78 TSHR (0.57) KEAP1NFE2L2KMT2AMAPTTP53
SCHEMBL790693 0.77 SLC40A1 (0.59) SLC40A1GLO1KEAP1NFE2L2KMT2A
SCHEMBL3447394 0.74 ALDH1A1 (0.59) SLC40A1GLO1KEAP1NFE2L2KMT2A
SCHEMBL30286771 0.73 MET (0.49) SLC40A1MAPTALDH1A1POLBBRD4
SCHEMBL20339047 0.73 MET (0.49) SLC40A1MAPTALDH1A1POLBBRD4
SCHEMBL17813853 0.73 MAPT (0.44) SLC40A1KMT2AMAPTALDH1A1POLB
SCHEMBL9954363 0.72 CCR2 (0.51) SLC40A1GLO1ALDH1A1
SCHEMBL5015931 0.72 KEAP1 (0.68) SLC40A1KEAP1NFE2L2KMT2AALDH1A1
SCHEMBL12474917 0.71 KMT2A (0.65) SLC40A1KEAP1NFE2L2KMT2AALDH1A1
SCHEMBL27182584 0.71 MAPT (0.46) KMT2AMAPTTP53ALDH1A1POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170360726-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2017-12-21 US disclosed
US-20170360726-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2017-12-21 US disclosed
US-20170360726-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2017-12-21 US disclosed
WO-2016090317-A1 SULFONAMIDE DERIVATIVES, COMPOSITIONS AND METHODS OF USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES AQUINNAH PHARMACEUTICALS, INC. (US) 2016-06-09 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-20170360726-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE FUS, TFEB, CLN6 SLC40A1 3533/4885GLO1 1707/4885KEAP1 117/4885

“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.