Sugi Predict

Sugi Predict / Compounds / SCHEMBL1050436

SCHEMBL1050436

SCHEMBL1050436

COC(=O)c1cccc(OS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.50
▸ TP53 P04637 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ MRGPRX4 Q96LA9 2/20 0.48
▸ STS P08842 4/20 0.48
▸ CYP4F2 P78329 1/20 0.48
▸ CYP4A11 Q02928 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ SDHB P21912 1/20 0.46
▸ KAT6A Q92794 1/20 0.46
▸ TCF4 P15884 1/20 0.46
▸ CTNNB1 P35222 1/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ MEN1 O00255 1/20 0.46

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
SCHEMBL8503398 0.84 MAOB (0.51) SMN1; SMN2STSRAB9ANPC1CA12
SCHEMBL732952 0.84 NOTUM (0.45) POLBTSHRSTSL3MBTL1RAB9A
SCHEMBL3669789 0.84 STS (0.65) STSL3MBTL1KAT6A
SCHEMBL4391166 0.84 NOTUM (0.45) POLBTSHRSTSL3MBTL1RAB9A
SCHEMBL14562524 0.84 PPARG (0.56) MRGPRX4STSKMT2ALOXL2
SCHEMBL3316267 0.84 STS (0.49) SMN1; SMN2STSL3MBTL1RAB9ACA12
SCHEMBL28747778 0.83 POLB (0.51) POLBTSHRMRGPRX4CYP4F2CYP4A11
SCHEMBL10206864 0.83 TSHR (0.44) SMN1; SMN2TSHRSTSRAB9AKAT6A
SCHEMBL7441195 0.83 SMN1; SMN2 (0.52) POLBTP53SMN1; SMN2TSHRMRGPRX4
SCHEMBL2962698 0.83 POLB (0.58) POLBTP53SMN1; SMN2TSHRSTS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1763509-B1 ALPHA-HELICAL MIMETICS WALTER & ELIZA HALL INST MEDICAL RES (AU) 2018-02-21 — — EP disclosed
US-7956216-B2 Benzoyl urea derivatives mimicing BH3-only proteins, able to interact with a Bcl-2 protein THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2011-06-07 — — US disclosed
US-20110015401-A1 Metal-Catalyzed Carbon-Fluorine Bond Formation MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-01-20 — — US disclosed
WO-2011008618-A1 METAL-CATALYZED CARBON-FLUORINE BOND FORMATION NATIONAL UNIVERSITY OF SINGAPORE (SG) 2011-01-20 — — WO disclosed
WO-2011008725-A2 METAL-CATALYZED CARBON-FLUORINE BOND FORMATION MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-01-20 — — WO disclosed
US-20080153802-A1 Alpha-helical mimetics THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2008-06-26 — — US disclosed
US-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors NOVARTIS AG (CH) 2008-06-05 — — US disclosed
EP-1851208-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2007-11-07 — — EP disclosed
EP-1763509-A1 ALPHA-HELICAL MIMETICS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2007-03-21 — — EP disclosed
WO-2006074950-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2006-07-20 — — WO disclosed
WO-1992010097-A1 ANGIOTENSIN II RECEPTOR BLOCKING COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 1992-06-25 — — WO disclosed
WO-1992010186-A1 USE OF ANGIOTENSN II RECEPTOR ANTAGONISTS FOR THE PREPARATION OF A MEDICAMENT FOR IMPROVING COGNITIVE FUNCTION SMITHKLINE BEECHAM PLC (GB) 1992-06-25 — — WO disclosed
WO-1992010184-A1 USE OF ANGIOTENSIN II RECEPTOR ANTAGONISTS IN THE TREATMENT OF ATHEROMA SMITHKLINE BEECHAM PLC (GB) 1992-06-25 — — WO disclosed
WO-1992010185-A1 USE OF ANGIOTENSIN II RECEPTOR ANTAGONISTS IN THE PREVENTION OF RESTINOSIS SMITHKLINE BEECHAM PLC (GB) 1992-06-25 — — WO disclosed
WO-1992010183-A1 USE OF ANGIOTENSIN II RECEPTOR ANTAGONISTS IN THE TREATMENT OF DIABETIC RETINOPATHY SMITHKLINE BEECHAM PLC (GB) 1992-06-25 — — WO disclosed
WO-1992010182-A1 USE OF ANGIOTENSIN II RECEPTOR ANTAGONISTS IN THE TREATMENT OF DIABETIC NEPHROPATHY SMITHKLINE BEECHAM PLC (GB) 1992-06-25 — — WO disclosed
WO-1992010181-A1 USE OF ANGIOTENSIN II ANTAGONISTS IN THE TREATMENT OF LEFT VENTRICULAR HYPERTROPHY SMITHKLINE BEECHAM PLC (GB) 1992-06-25 — — WO disclosed
WO-1992010188-A1 USE OF ANGIOTENSIN II RECEPTOR ANTAGONISTS IN THE TREATMENT OF HEMORRAGIC STROKE SMITHKLINE BEECHAM PLC (GB) 1992-06-25 — — WO disclosed
WO-1992010187-A1 USE OF ANGIOTENSIN II ANTAGONISTS IN THE TREATMENT OF ANGINA PECTORIS SMITHKLINE BEECHAM PLC (GB) 1992-06-25 — — WO disclosed
WO-1992009278-A1 SUBSTITUTED 5-ARYL IMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 1992-06-11 — — WO 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-20080153802-A1 Alpha-helical mimetics BID, BAX, BAD POLB 2096/4885TP53 64/4885SMN1; SMN2 860/4885
US-20110015401-A1 Metal-Catalyzed Carbon-Fluorine Bond Formation FLI1, VGF, GMFG POLB 4520/4885TP53 741/4885SMN1; SMN2 1953/4885
US-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors BACE1, BACE2, APP POLB 356/4885TP53 1624/4885SMN1; SMN2 1117/4885

“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.