Sugi Predict

Sugi Predict / Compounds / SCHEMBL307044

SCHEMBL307044

SCHEMBL307044

O=S(=O)(O)c1cccc(-c2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ ALDH1A1 P00352 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ PFKFB3 Q16875 1/20 0.49
▸ PTPN1 P18031 1/20 0.49
▸ KAT6A Q92794 1/20 0.47
▸ MGLL Q99685 1/20 0.47
▸ PTGES2 Q9H7Z7 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ CA2 P00918 2/20 0.45
▸ KMO O15229 1/20 0.45
▸ CA12 O43570 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ LOX P28300 1/20 0.45
▸ CA1 P00915 1/20 0.45

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
Hydrochloric Acid SCHEMBL27905022 0.98 TSHR (0.60) TSHRSMN1; SMN2ALDH1A1HSD17B10TDP1
Water SCHEMBL15608810 0.98 TSHR (0.60) TSHRSMN1; SMN2ALDH1A1HSD17B10TDP1
SCHEMBL28143195 0.98 TSHR (0.60) TSHRSMN1; SMN2ALDH1A1HSD17B10TDP1
Water SCHEMBL28135401 0.96 TSHR (0.58) TSHRSMN1; SMN2ALDH1A1HSD17B10TDP1
SCHEMBL27903792 0.96 TSHR (0.59) TSHRSMN1; SMN2ALDH1A1HSD17B10TDP1
SCHEMBL975190 0.93 TSHR (0.61) TSHRSMN1; SMN2ALDH1A1HSD17B10TDP1
SCHEMBL15509798 0.91 TSHR (0.59) TSHRSMN1; SMN2ALDH1A1HSD17B10TDP1
SCHEMBL1416443 0.91 TSHR (0.59) TSHRSMN1; SMN2ALDH1A1HSD17B10TDP1
SCHEMBL5081851 0.91 TSHR (0.59) TSHRSMN1; SMN2ALDH1A1HSD17B10TDP1
SCHEMBL18965978 0.91 TSHR (0.57) TSHRSMN1; SMN2ALDH1A1HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3999490-A1 CANNABINOID DERIVATIVES Canopy Growth Corporation (CA) 2022-05-25 — — EP claimed
CN-114345404-A Phenol hydroxylation catalyst and preparation method thereof, and phenol hydroxylation method 万华化学集团股份有限公司 2022-04-15 — — CN claimed
EP-2462117-B1 QUINOLINYLOXYPHENYLSULFONAMIDES MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WSS E V (DE) 2017-06-28 — — EP claimed
US-9206130-B2 Quinoline derivatives as AXL kinase inhibitors MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-12-08 — — US claimed
US-9169241-B2 Quinolinyloxyphenylsulfonamides MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2015-10-27 — — US claimed
CN-102574804-B Quinolinyloxyphenylsulfonamides MAX PLANCK GESELLSCHAFT 2015-01-07 — — CN claimed
US-20140336191-A1 QUINOLINYLOXYPHENYLSULFONAMIDES MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2014-11-13 — — US claimed
US-20120277231-A1 QUINOLINYLOXYPHENYLSULFONAMIDES MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2012-11-01 — — US claimed
EP-2262772-B1 QUINOLINE DERIVATIVES AS AXL KINASE INHIBITORS MAX PLANCK GESELLSCHAFT (DE) 2012-07-18 — — EP claimed
CN-102574804-A Quinolinyloxyphenylsulfonamides MAX PLANCK GESELLSCHAFT 2012-07-11 — — CN claimed
EP-2462117-A1 QUINOLINYLOXYPHENYLSULFONAMIDES Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2012-06-13 — — EP claimed
CN-102131783-A Quinoline derivatives as axl kinase inhibitors MAX PLANCK GESELLSCHAFT 2011-07-20 — — CN claimed
EP-2262772-A1 QUINOLINE DERIVATIVES AS AXL KINASE INHIBITORS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2010-12-22 — — EP claimed
US-7754755-B2 e.g. N-[2-(1H-Indol-3-yl)-ethyl]-2-methyl-5-fluoro-benzenesulfonamide; N-[3-(4-Butyl-phenoxy)-propyl]-4-pentyl-benzenesulfonamide; useful for treating inflammatory disorder, atherosclerosis, diabetes, vascular restenosis, hypertension, asthma, rheumatoid arthritis, osteoarthritis, cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-13 — — US claimed
WO-2009127417-A1 QUINOLINE DERIVATIVES AS AXL KINASE INHIBITORS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2009-10-22 — — WO claimed
US-7435739-B2 Substituted pyrrolopyrimidines useful in the treatment of cancer CHEN JINSHAN 2008-10-14 — — US claimed
JP-2007511596-A — — 2007-05-10 — — JP claimed
EP-1687309-A1 PYRROLOPYRIMIDINE COMPOUNDS USEFUL IN TREATMENT OF CANCER Pfizer Products Inc. (US) 2006-08-09 — — EP claimed
US-20050130994-A1 Pyrrolopyre compounds useful in treatment of cancer PFIZER INC 2005-06-16 — — US claimed
WO-2005047289-A1 PYRROLOPYRIMIDINE COMPOUNDS USEFUL IN TREATMENT OF CANCER PFIZER PRODUCTS INC. (US) 2005-05-26 — — WO claimed

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-20050130994-A1 Pyrrolopyre compounds useful in treatment of cancer TP53, CCNT1, CCNE1 TSHR 2688/4885SMN1; SMN2 3368/4885ALDH1A1 610/4885
US-20140336191-A1 QUINOLINYLOXYPHENYLSULFONAMIDES TP53, AQP1, KRAS TSHR 4784/4885SMN1; SMN2 2377/4885ALDH1A1 2695/4885
US-20120277231-A1 QUINOLINYLOXYPHENYLSULFONAMIDES TP53, AQP1, KRAS TSHR 4784/4885SMN1; SMN2 2377/4885ALDH1A1 2695/4885

“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.