Sugi Predict

Sugi Predict / Compounds / SCHEMBL588012

SCHEMBL588012

SCHEMBL588012

Nc1c[c]ccc1S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.41
▸ AURKA O14965 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ ALDH1A1 P00352 7/20 0.35
▸ TSHR P16473 3/20 0.35
▸ NT5E P21589 1/20 0.35
▸ HSD17B10 Q99714 5/20 0.34
▸ CASP6 P55212 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ NQO1 P15559 1/20 0.33
▸ RAPGEF4 Q8WZA2 1/20 0.33
▸ TDP1 Q9NUW8 3/20 0.31
▸ GAA P10253 3/20 0.31
▸ KDM4E B2RXH2 3/20 0.31
▸ MAPT P10636 2/20 0.31
▸ RECQL P46063 2/20 0.31
▸ NSD2 O96028 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ APEX1 P27695 1/20 0.31

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
SCHEMBL2777760 0.83 TTR (0.41) TTRAURKAAURKBALDH1A1TSHR
SCHEMBL5663517 0.80 TTR (0.32) TTRALDH1A1TSHRNT5E
SCHEMBL2903043 0.79 L3MBTL1 (0.38) CYP2C9GAAL3MBTL1CA12CA1
SCHEMBL4359857 0.77 TSHR (0.31) TTRALDH1A1TSHRHSD17B10RECQL
SCHEMBL6632452 0.77 HSD17B10 (0.33) TTRAURKAAURKBALDH1A1TSHR
SCHEMBL5417323 0.75 MYC (0.35) RECQLPOLBMEN1KMT2A
SCHEMBL8002521 0.73 KMT2A (0.43) ALDH1A1TSHRNT5ECASP6TDP1
SCHEMBL4783767 0.73 HTR6 (0.61) ALDH1A1TSHRGAAKDM4EPOLB
SCHEMBL4905351 0.72 MYC (0.36) TTRALDH1A1TSHRHSD17B10CASP6
SCHEMBL3246115 0.72 HSD17B10 (0.37) TTRAURKAAURKBALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0712841-B1 Process for the preparation of 3(N-aryl-amino)-propyl-2'-sulfatoethylsulfonyl compounds DYSTAR TEXTILFARBEN GMBH & CO (DE) 1999-01-13 — — EP claimed
US-5777111-A DERIVATIVES OF ARYL SUBSTITUTED 1,3-OXAZINES HOECHST AKTIENGESELLSCHAFT (DE) 1998-07-07 — — US claimed
US-5672738-A REACTING AN AROMATIC SUBSTITUTED CYCLIC CARBAMATE WITH 2-MERCAPTETHANOL IN PRESENCE OF A BASIC CATALYST HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-30 — — US claimed
EP-0712841-A1 Process for the preparation of 3(N-aryl-amino)-propyl-2'-sulfatoethylsulfonyl compounds HOECHST AKTIENGESELLSCHAFT (DE) 1996-05-22 — — EP claimed
CN-102558948-B Ink composite, the ink jet recording method using it and record thing SEIKO EPSON CORP. (JP) 2016-02-10 — — CN disclosed
US-8975259-B2 Compositions and methods for inhibiting G protein signaling UNIVERSITY OF ROCHESTER (US) 2015-03-10 — — US disclosed
CN-102395629-B Porphyrazine dye, ink composition containing same, and colored article NIPPON KAYAKU KK 2014-05-14 — — CN disclosed
EP-1689929-B1 METHOD OF INCREASING DEPTH OF SHADE HUNTSMAN ADV MAT SWITZERLAND (CH) 2012-02-15 — — EP disclosed
US-8007546-B2 Treating polyamide fibers before, during or after dyeing with a liquor comprising a derivative of diamino-1,3,5-triazine, triamino-1,3,5-triazine, diaminohalo-1,3-5-triazine, or diaminooxy-1,3,5-triazine; colorfastness HUNTSMAN INTERNATIONAL LLC (US) 2011-08-30 — — US disclosed
CN-1882739-B Method for improving color depth CIBA SC HOLDING AG 2011-01-26 — — CN disclosed
US-20100130505-A1 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING UNIVERSITY OF ROCHESTER (US) 2010-05-27 — — US disclosed
EP-2147310-A2 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING University of Rochester (US) 2010-01-27 — — EP disclosed
US-4622390-A DYEING FIBERS OF CELLULOSE, POLYAMIDES, POLYURETHANES HOECHST AKTIENGESELLSCHAFT (DE) 1986-11-11 — — US disclosed
EP-0065732-B1 WATER SOLUBLE DISAZO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1985-08-21 — — EP disclosed
US-4532323-A Process for the preparation of triphendioxazine compounds BAYER AKTIENGESELLSCHAFT (DE) 1985-07-30 — — US disclosed
EP-0141359-A2 Process for preparing triphenyldioxazine compounds BAYER AG (DE) 1985-05-15 — — EP disclosed
EP-0048355-B1 WATER-SOLUBLE DISAZO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1984-07-25 — — EP disclosed
EP-0065732-A1 Water soluble disazo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1982-12-01 — — EP disclosed
EP-0048355-A1 Water-soluble disazo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1982-03-31 — — EP disclosed
US-4225492-A Water-soluble disazo dyestuffs, prepared from unsymmetrical heterocyclic diamines CASSELLA AKTIENGESELLSCHAFT (DE) 1980-09-30 — — 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-20100130505-A1 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING GNAI1, GNAI3, GNAI2 TTR 4263/4885AURKA 3797/4885AURKB 2228/4885

“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.