SCHEMBL20150198

SCHEMBL20150198

C[S+]([O-])c1ccccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.52
▸ TDP1 Q9NUW8 5/20 0.48
▸ ALDH1A1 P00352 7/20 0.47
▸ TSHR P16473 3/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ GPR35 Q9HC97 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ HPGD P15428 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
SCHEMBL6870799 1.00 HSD17B10 (0.52) HSD17B10TDP1ALDH1A1TSHRKMT2A
SCHEMBL2461936 0.83 HSD17B10 (0.50) HSD17B10TDP1ALDH1A1TSHRKMT2A
SCHEMBL28875649 0.81 GPR35 (0.62) HSD17B10TDP1TSHRKMT2AMEN1
SCHEMBL16919574 0.79 TDP1 (0.42) HSD17B10TDP1ALDH1A1TSHRKMT2A
SCHEMBL10332959 0.79 HSD17B10 (0.47) HSD17B10TDP1ALDH1A1TSHRKMT2A
SCHEMBL876553 0.79 ALDH1A1 (0.47) HSD17B10TDP1ALDH1A1TSHRKMT2A
SCHEMBL10332960 0.79 HSD17B10 (0.47) HSD17B10TDP1ALDH1A1TSHRKMT2A
SCHEMBL16690965 0.79 HSD17B10 (0.47) HSD17B10TDP1ALDH1A1TSHRKMT2A
SCHEMBL3160352 0.76 ALDH1A1 (0.46) HSD17B10TDP1ALDH1A1TSHRKMT2A
SCHEMBL13630905 0.75 TDP1 (0.53) HSD17B10TDP1ALDH1A1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802110-B2 2-amino-N-(arylsulfinyl)-acetamide compounds as inhibitors of bacterial aminoacyl-tRNA synthetase Oxford Drug Design Limited (GB) 2023-10-31 — — US disclosed
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 — — 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 (2 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-11802110-B2 2-amino-N-(arylsulfinyl)-acetamide compounds as inhibitors of bacterial aminoacyl-tRNA synthetase AARS1, NSUN3, GARS1 HSD17B10 1424/4885TDP1 1968/4885ALDH1A1 1814/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 HSD17B10 2692/4885TDP1 330/4885ALDH1A1 4827/4885

“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.

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