SCHEMBL6576423

SCHEMBL6576423

CCOc1cccc(-c2nc3c(S(=O)(=O)O)cc(S(=O)(=O)O)cc3[nH]2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.45
CYP2C9 P11712 4/20 0.45
CYP2C19 P33261 4/20 0.45
CYP3A4 P08684 3/20 0.45
MAPT P10636 4/20 0.44
TP53 P04637 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
HSD17B10 Q99714 1/20 0.44
DYRK3 O43781 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
SCHEMBL6576419 0.89 MAPT (0.39) CYP1A2CYP2C9CYP2C19CYP3A4MAPT
SCHEMBL6577948 0.88 CHEK2 (0.48) CYP2C9CYP2C19CYP3A4MAPTTP53
SCHEMBL6574413 0.88 PARP1 (0.55) CYP1A2CYP2C9CYP2C19CYP3A4MAPT
SCHEMBL6578557 0.84 MAPT (0.47) CYP2C9CYP2C19CYP3A4MAPTTP53
SCHEMBL7760718 0.81 HDAC6 (0.52) CYP1A2CYP2C9CYP2C19CYP3A4MAPT
SCHEMBL6575742 0.80 HDAC6 (0.63) CYP1A2CYP2C9CYP2C19CYP3A4MAPT
Bisdisulizole SCHEMBL62139 0.79 HDAC6 (0.52) CYP2C9CYP2C19CYP3A4MAPTKDM4E
Bisdisulizole SCHEMBL29507102 0.79 HDAC6 (0.52) CYP2C9CYP2C19CYP3A4MAPTKDM4E
Bisdisulizole SCHEMBL29507075 0.79 HDAC6 (0.52) CYP2C9CYP2C19CYP3A4MAPTKDM4E
SCHEMBL6575637 0.78 PARP1 (0.40) MAPTSMN1; SMN2KDM4EUSP2ALDH1A1

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 CYP1A2 187/4885CYP2C9 133/4885CYP2C19 170/4885
US-20020013474-A1 Process for the preparation of UV filter substances AOX1, CYP1A1, AOC2 CYP1A2 34/4885CYP2C9 50/4885CYP2C19 281/4885
US-20020016349-A1 UV-B filters CBR1, H1-0, CYP1B1 CYP1A2 211/4885CYP2C9 151/4885CYP2C19 188/4885

“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.