SCHEMBL1806002

SCHEMBL1806002

O=S(=O)(O)c1ccc2c[c]ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.47
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 4/20 0.46
CASP6 P55212 4/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 1/20 0.46
NT5E P21589 4/20 0.40
NSD2 O96028 3/20 0.40
DUSP3 P51452 2/20 0.40
PTPN5 P54829 2/20 0.40
PTPN11 Q06124 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 2/20 0.38
PRMT1 Q99873 1/20 0.37
TSHR P16473 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL1805049 0.93 ALDH1A1 (0.46) SNCAALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL300937 0.82 SNCA (0.62) SNCAALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL305423 0.82 SNCA (0.62) SNCAALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL30233294 0.82 SNCA (0.62) SNCAALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL3483462 0.81 LMNA (0.58) ALDH1A1HSD17B10CYP2C9CYP2C19KDM4E
SCHEMBL2537551 0.81 AKR1C3 (0.45) LMNASMN1; SMN2
SCHEMBL3824024 0.80 SNCA (0.60) SNCAALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL1416021 0.80 SNCA (0.60) SNCAALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL836622 0.80 SNCA (0.60) SNCAALDH1A1HSD17B10CASP6CYP2C9
Hydrochloric Acid SCHEMBL9252711 0.80 SNCA (0.60) SNCAALDH1A1HSD17B10CASP6CYP2C9

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 93 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2599480-A1 Compounds for the treatment of influenza Universität Innsbruck (AT) 2013-06-05 EP claimed
CN-1289608-C Dye incorporating anionic and cationic groups CIBA SC HOLDING AG (CH) 2006-12-13 CN claimed
EP-0714955-B1 Azodyestuffs, process for their preparation and the use thereof CIBA SC HOLDING AG (CH) 2000-07-19 EP claimed
US-5811081-A Use of hydroxybenzotriazoles for enhancing the sun protection factor of cellulosic fibre materials CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-09-22 US claimed
US-5644040-A DISAZO DYES FORMED BY REACTION OF HALOTRIAZINYL RADICAL FOR CELLULOSE OR POLYAMIDE FIBERS CIBA-GEIGY CORPORATION (US) 1997-07-01 US claimed
EP-0745719-A2 Use of carbohydrate compounds as auxiliary agents in the dyeing or printing of fibrous materials HOECHST AKTIENGESELLSCHAFT (DE) 1996-12-04 EP claimed
EP-0714955-A1 Azodyestuffs, process for their preparation and the use thereof CIBA-GEIGY AG (CH) 1996-06-05 EP claimed
EP-0708197-A2 Utilisation of hydroxybenztriazoles for increasing the sun-ray filter index of fibrous cellulosic materials CIBA-GEIGY AG (CH) 1996-04-24 EP claimed
EP-0087113-B1 WATER SOLUBLE DISAZO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1986-09-03 EP claimed
EP-0050266-B1 REACTIVE DISAZO DYES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN DYEING AND PRINTING MATERIALS THAT CONTAIN HYDROXYL AND/OR NITROGEN BAYER AG (DE) 1984-10-03 EP claimed
US-3959332-A N-(2-NITRO-4-ARYLOXYSULFONYL-PHENYL)-ARYLENEDIAMINES, DYES SANDOZ LTD. (CH) 1976-05-25 US claimed
EP-2599480-A1 Compounds for the treatment of influenza Universität Innsbruck (AT) 2013-06-05 EP disclosed
US-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 US disclosed
US-20120229737-A1 POLARIZATION FILM AND LIQUID CRYSTAL DISPLAY DEVICE COMPRISING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-13 US disclosed
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 US disclosed
US-4602084-A Monoazo dyes containing a 4-substituted-2-azo-1,1'-diphenylsulfone component CIBA-GEIGY CORPORATION (US) 1986-07-22 US disclosed
EP-0087113-A2 Water soluble disazo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1983-08-31 EP disclosed
US-4384870-A Disazo compounds having a sulfo group-containing diazo component radical, a 1,4-phenylene middle component radical having a substituted amino group and a coupling component radical having a free, acylated or etherified hydroxy group SANDOZ LTD. (CH) 1983-05-24 US disclosed
US-4185013-A Anionic azo dyes having a 3-dibenzofuranyl diazo component radical optionally having a 2- or 8-sulfo group SANDOZ LTD. (CH) 1980-01-22 US disclosed
US-4081438-A Anionic azo dyes having a 3-dibenzofuranyl diazo component radical optionally having A2-or 8-sulfo group SANDOZ LTD. (CH) 1978-03-28 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 (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-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 SNCA 1203/4885ALDH1A1 218/4885HSD17B10 2848/4885

“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.