SCHEMBL3901808

SCHEMBL3901808

COC(=O)c1ccc(OS(=O)(=O)C(F)(F)F)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.48
PDK1 Q15118 2/20 0.48
PDK3 Q15120 2/20 0.48
PDK4 Q16654 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
NOTUM Q6P988 2/20 0.46
MRGPRX4 Q96LA9 2/20 0.46
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALPL P05186 1/20 0.42
STS P08842 2/20 0.41
ACLY P53396 1/20 0.41

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
SCHEMBL6139341 0.86 ESRRA (0.46) MAPTMRGPRX4ALDH1A1L3MBTL1STS
SCHEMBL4950565 0.85 TSHR (0.49) PDK2PDK1PDK3PDK4SMN1; SMN2
SCHEMBL31058820 0.85 RAB9A (0.49) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL1602359 0.85 RAB9A (0.49) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL13957569 0.85 STS (0.38) PDK2PDK1PDK3PDK4SMN1; SMN2
SCHEMBL14616750 0.84 NOTUM (0.53) PDK2SMN1; SMN2MAPTKMT2ANOTUM
SCHEMBL6134609 0.84 NOTUM (0.50) PDK2SMN1; SMN2MAPTKMT2ARAB9A
SCHEMBL2314446 0.84 NOTUM (0.47) SMN1; SMN2MAPTKMT2ANOTUMALDH1A1
SCHEMBL2934710 0.84 MAPT (0.57) SMN1; SMN2MAPTKMT2AMEN1NPC1
SCHEMBL31238876 0.84 MAPT (0.57) SMN1; SMN2MAPTKMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP disclosed
EP-1893597-B1 AMPA RECEPTOR POTENTIATORS LILLY CO ELI (US) 2008-11-12 EP disclosed
US-7393868-B2 AMPA receptor potentiators ELI LILLY AND COMPANY (US) 2008-07-01 US disclosed
EP-1893597-A2 AMPA RECEPTOR POTENTIATORS ELI LILLY AND COMPANY (US) 2008-03-05 EP disclosed
US-20070225308-A1 2-Amino Quinazoline Derivative KYOWA HAKKO KOGYO CO.,LTD. (JP) 2007-09-27 US disclosed
US-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds AVENTIS PHARMACEUTICALS INC. 2003-08-14 US disclosed
US-6541505-B1 Inhibiting the activity of Factor Xa; treating a disease state associated with a physiologically detrimental excess amount of thrombin. AVENTIS PHARMACEUTICALS INC. 2003-04-01 US disclosed
US-6380218-B1 FOR THERAPY OF RESPIRATORY, ALLERGIC, AND INFLAMMATORY DISORDERS COMPRISING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ACUTE RESPIRATORY DISEASE SYNDROME, PULMONARY HYPERSENSITIVITY, AND ALLERGIC RHINITIS IN A MAMMAL PFIZER INC 2002-04-30 US disclosed
EP-1140901-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2001-10-10 EP disclosed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 WO disclosed
EP-0971894-A1 NICOTINAMIDE DERIVATIVES Pfizer Products Inc. (US) 2000-01-19 EP disclosed
US-5965763-A Biphenyl compounds HOECHST MARION ROUSSEL (FR) 1999-10-12 US disclosed
US-5863930-A ATHEROSCLEROSIS TREATMENT FORMED BY REACTION OF PYRIDONES WITH BIPHENYLMETHYL HALOGEN BAYER AKTIENGESELLSCHAFT (DE) 1999-01-26 US disclosed
WO-1998045268-A1 NICOTINAMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-10-15 WO disclosed
US-5596006-A ANTIHYPERTENSIVE, ANTIATHEROSCLEROTIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1997-01-21 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 (4 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-20070225308-A1 2-Amino Quinazoline Derivative AGTR2, ABL1, AGTR1 PDK2 2010/4885PDK1 3640/4885PDK3 2471/4885
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 PDK2 1823/4885PDK1 1385/4885PDK3 1874/4885
US-20090298894-A1 AMINO ACID COMPOUNDS S1PR1, S1PR2, S1PR5 PDK2 2288/4885PDK1 1664/4885PDK3 2970/4885
US-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds SERPINC1, F2, F11 PDK2 3450/4885PDK1 3849/4885PDK3 3101/4885

“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.