SCHEMBL6574358

SCHEMBL6574358

O=S(=O)(O)c1nc2c(S(=O)(=O)O)cccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TTR P02766 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
DHODH Q02127 2/20 0.35
PARP1 P09874 7/20 0.35
FABP4 P15090 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
MAPK14 Q16539 1/20 0.33
NR4A1 P22736 1/20 0.33
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32

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
SCHEMBL3734379 0.84 DHODH (0.45) L3MBTL1GAADHODHPARP1
SCHEMBL2942698 0.81 L3MBTL1 (0.56) L3MBTL1GAAHSD17B10TTRKDM4E
SCHEMBL306771 0.81 L3MBTL1 (0.56) L3MBTL1GAAHSD17B10KDM4EHPGD
SCHEMBL16134523 0.81 L3MBTL1 (0.56) L3MBTL1GAAHSD17B10KDM4EHPGD
SCHEMBL989259 0.81 L3MBTL1 (0.40) L3MBTL1TTRKDM4EHPGDDHODH
SCHEMBL16134527 0.80 KDM4E (0.57) L3MBTL1KDM4EHPGDDHODHPARP1
SCHEMBL7056322 0.80 L3MBTL1 (0.54) L3MBTL1GAAHSD17B10DHODHPARP1
SCHEMBL11234305 0.80 PARP1 (0.53) L3MBTL1GAAHSD17B10KDM4EDHODH
SCHEMBL6675098 0.78 L3MBTL1 (0.55) L3MBTL1GAAHSD17B10DHODHPARP1
SCHEMBL16278 0.78 L3MBTL1 (0.55) L3MBTL1GAAHSD17B10DHODHPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0210952-A1 Aqueous, alkaline, silicate-containing composition for the bleaching of cellulosic fibres in the presence of percompounds CIBA-GEIGY AG (CH) 1987-02-04 EP claimed
EP-0210132-A1 Aqueous, alkaline, silicate-containing composition for the bleaching of cellulosic fibres in the presence of percompounds CIBA-GEIGY AG (CH) 1987-01-28 EP claimed
EP-1167358-B1 2-Phenylbenzimidazole sulphonic acids as UV-B filters MERCK PATENT GMBH (DE) 2004-09-15 EP disclosed
EP-1167359-B1 Process for the preparation of 2-arylbenzimidazole sulphonic acids MERCK PATENT GMBH (DE) 2004-04-28 EP disclosed
US-6593476-B2 Using 2-arylbenzimidazolesulfonic acid MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2003-07-15 US disclosed
US-6440401-B1 2-PHENYLBENZIMIDAZOLEDI- AND TRISULFONIC ACIDS; COSMETIC FORMULATIONS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-08-27 US disclosed
US-20020055532-A1 UV-B filter MERCK PATENT GESELLSCHAFT (DE) 2002-05-09 US disclosed
US-20020016349-A1 UV-B filters MERCK PATENT GESELLSCHAFT (DE) 2002-02-07 US disclosed
US-20020013474-A1 Process for the preparation of UV filter substances MERCK PATENT GESELLSCHAFT 2002-01-31 US disclosed
EP-1167359-A1 Process for the preparation of 2-arylbenzimidazole sulphonic acids and their use as UV-filters MERCK PATENT GmbH (DE) 2002-01-02 EP disclosed
EP-1167358-A1 2-Phenylbenzimidazole sulphonic acids as UV-B filters MERCK PATENT GmbH (DE) 2002-01-02 EP 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-20020055532-A1 UV-B filter CBR1, UQCRB, H1-0 L3MBTL1 2838/4885GAA 2641/4885HSD17B10 1899/4885
US-20020013474-A1 Process for the preparation of UV filter substances AOX1, CYP1A1, AOC2 L3MBTL1 4623/4885GAA 2298/4885HSD17B10 2464/4885
US-20020016349-A1 UV-B filters CBR1, H1-0, CYP1B1 L3MBTL1 2777/4885GAA 2716/4885HSD17B10 1936/4885

“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.