SCHEMBL6577948

SCHEMBL6577948

CCOc1ccc(-c2nc3c(S(=O)(=O)O)cc(S(=O)(=O)O)cc3[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.48
MAPT P10636 3/20 0.48
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
RAB9A P51151 2/20 0.44
HSD17B10 Q99714 2/20 0.44
NPC1 O15118 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
DHODH Q02127 8/20 0.43
MEN1 O00255 1/20 0.42
SLCO2B1 O94956 1/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL6576419 0.90 MAPT (0.39) CHEK2MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL6576423 0.88 CYP1A2 (0.45) MAPTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL6576417 0.87 PARP1 (0.48) CHEK2MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL6578557 0.87 MAPT (0.47) CHEK2MAPTALDH1A1SMN1; SMN2TP53
Bisdisulizole SCHEMBL62139 0.87 HDAC6 (0.52) MAPTALDH1A1KDM4EHPGDHSD17B10
Bisdisulizole SCHEMBL29507102 0.87 HDAC6 (0.52) MAPTALDH1A1KDM4EHPGDHSD17B10
Bisdisulizole SCHEMBL29507075 0.87 HDAC6 (0.52) MAPTALDH1A1KDM4EHPGDHSD17B10
Bisdisulizole SCHEMBL4777834 0.85 HDAC6 (0.51) MAPTALDH1A1KDM4EHPGDHSD17B10
Bisdisulizole SCHEMBL1830829 0.85 HDAC6 (0.51) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL20848229 0.82 HDAC6 (0.46) ALDH1A1SMN1; SMN2KDM4EHPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CHEK2 1293/4885MAPT 4399/4885ALDH1A1 307/4885
US-20020013474-A1 Process for the preparation of UV filter substances AOX1, CYP1A1, AOC2 CHEK2 3150/4885MAPT 3825/4885ALDH1A1 19/4885
US-20020016349-A1 UV-B filters CBR1, H1-0, CYP1B1 CHEK2 1245/4885MAPT 4449/4885ALDH1A1 289/4885

“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.