SCHEMBL1803722

SCHEMBL1803722

CC(=O)Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1S(=O)(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP6 P55212 4/20 0.52
▸ PRMT1 Q99873 1/20 0.51
▸ NT5E P21589 2/20 0.45
▸ CA1 P00915 5/20 0.43
▸ CA2 P00918 5/20 0.43
▸ CA9 Q16790 5/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NSD2 O96028 3/20 0.41
▸ DUSP3 P51452 2/20 0.41
▸ PTPN5 P54829 2/20 0.41
▸ PTPN11 Q06124 2/20 0.41
▸ CASR P41180 1/20 0.40
▸ CASP7 P55210 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ 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
SCHEMBL1803719 0.86 CASP6 (0.49) CASP6PRMT1CA1CA2CA9
SCHEMBL10509094 0.85 PRMT1 (0.48) CASP6PRMT1NT5ECA1CA2
SCHEMBL11036814 0.84 PRMT1 (0.48) CASP6PRMT1NT5ECTDSP1NSD2
SCHEMBL9799497 0.84 CASP6 (0.60) CASP6PRMT1NT5ECA1CA2
SCHEMBL5720482 0.82 CYP1A2 (0.47) CASP6PRMT1NT5ECTDSP1POLB
SCHEMBL4650417 0.82 CASP6 (0.64) CASP6PRMT1NT5ECA1CA2
SCHEMBL7901329 0.82 APEX1 (0.60) CASP6PRMT1NT5ECA1CA2
SCHEMBL9696584 0.81 PRMT1 (0.48) CASP6PRMT1NT5ECA1CA2
SCHEMBL9309281 0.80 CASP6 (0.51) CASP6PRMT1NT5ECA1CA2
SCHEMBL3481043 0.77 PRMT1 (0.78) CASP6PRMT1NT5ECA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-6177552-B1 CONTAINING (((VINYLSULFONYL)ALKYLAMINO)ALKYLSULFONYL)PHENYLAZO GROUPS DYSTARTEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2001-01-23 — — US disclosed
EP-0743968-A1 ORGANIC CHEMICALS BASF AKTIENGESELLSCHAFT (DE) 1996-11-27 — — EP disclosed
EP-0489360-B1 Water-soluble azocompounds, process for their preparation and their use as dyes HOECHST AG (DE) 1995-09-20 — — EP disclosed
WO-1995021892-A1 ORGANIC CHEMICALS ZENECA LIMITED (GB) 1995-08-17 — — WO disclosed
EP-0399411-B1 Water soluble azo compounds, process for their preparation and their use as dyestuffs HOECHST AG (DE) 1994-07-13 — — EP disclosed
EP-0381133-B1 Water soluble azo compounds, method for their preparation and their use as dyestuffs HOECHST AG (DE) 1994-03-02 — — EP disclosed
EP-0384276-B1 Water soluble azo compounds, method for their preparation and their use as dyestuffs HOECHST AG (DE) 1993-11-10 — — EP disclosed
US-5216138-A With vinyl sulfonyl group HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-01 — — US disclosed
US-4473498-A Water-soluble, fiber-reactive organic dyestuffs containing a β-chloro-ethylsulfonyl-methyl-benzoic acid amide group HOECHST AKTIENGESELLSCHAFT (DE) 1984-09-25 — — US disclosed
EP-0031508-B1 WATER-SOLUBLE AZO COMPOUNDS AND THEIR COPPER COMPLEXES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1984-05-09 — — EP disclosed
EP-0012969-B1 WATER-SOLUBLE FIBRE-REACTIVE COMPOUNDS AND THEIR USE IN FIBRE FINISHING,ESPECIALLY AS DYESTUFFS,AND DIHALOGENO-PYRIDAZONYL-CARBOXYLIC AND SULFONIC ACID HALIDES AND THEIR USE AS FIBRE-REACTIVE ANCHORS,AS WELL AS PROCESS FOR THE PREPARATION OF THESE COMPOUND HOECHST AKTIENGESELLSCHAFT (DE) 1983-06-08 — — EP disclosed
EP-0045488-A2 Water-soluble fibre-reactive compounds and their use in finishing textiles, as well as the beta-chloroethyl-sulfonyl-methyl-benzoic-acid halogenides, and their use as a fibre-reactive anchor HOECHST AKTIENGESELLSCHAFT (DE) 1982-02-10 — — EP disclosed
EP-0031508-A2 Water-soluble azo compounds and their copper complexes, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-08 — — EP disclosed
US-4261889-A TRIAZINE DYES FOR COTTON CIBA-GEIGY CORP. (US) 1981-04-14 — — US disclosed
EP-0012969-A2 Water-soluble fibre-reactive compounds and their use in fibre finishing,especially as dyestuffs,and dihalogeno-pyridazonyl-carboxylic and sulfonic acid halides and their use as fibre-reactive anchors,as well as process for the preparation of these compound HOECHST AKTIENGESELLSCHAFT (DE) 1980-07-09 — — EP disclosed
US-4054559-A Reactive disazo monohalogenotriazine dyestuffs NIPPON KAYAKU KABUSHIKI KAISHA (JA) 1977-10-18 — — US disclosed
US-4045428-A Water-soluble reactive naphthylazonaphthyl dyestuffs HOECHST AKTIENGESELLSCHAFT (DT) 1977-08-30 — — US disclosed
US-4035350-A Process for the preparation of water-soluble azo dyestuffs by reacting an aromatic amine and a coupling component with alkali metal nitrite or alkyl nitrite in the absence of acid HOECHST AKTIENGESELLSCHAFT (DT) 1977-07-12 — — 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 CASP6 4737/4885PRMT1 192/4885NT5E 4656/4885

“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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