SCHEMBL979300

SCHEMBL979300

COC(=O)c1ccc(NC(=O)C(F)(F)F)c(I)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.53
PDK1 Q15118 2/20 0.53
PDK3 Q15120 2/20 0.53
PDK4 Q16654 2/20 0.53
KDM4E B2RXH2 5/20 0.50
NOTUM Q6P988 2/20 0.46
MAPT P10636 4/20 0.43
GAA P10253 2/20 0.43
MAPK1 P28482 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
XDH P47989 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ALDH1A1 P00352 5/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL1173751 0.88 KDM4E (0.54) PDK2PDK1PDK3PDK4KDM4E
SCHEMBL12392964 0.86 PDK1 (0.48) PDK2PDK1PDK3PDK4KDM4E
SCHEMBL3605714 0.84 KDM4E (0.58) PDK2PDK1PDK3PDK4KDM4E
SCHEMBL19058584 0.84 PDK2 (0.54) PDK2PDK1PDK3PDK4KDM4E
SCHEMBL377803 0.81 ALDH1A1 (0.62) KDM4EMAPTGAAMAPK1CA1
SCHEMBL24842546 0.81 KDM4E (0.55) PDK2PDK1PDK3PDK4KDM4E
SCHEMBL5440723 0.81 CA12 (0.56) PDK2PDK1PDK3PDK4KDM4E
SCHEMBL25155623 0.78 KDM4E (0.43) PDK2PDK1PDK3PDK4KDM4E
SCHEMBL5209585 0.78 KDM4E (0.63) PDK2PDK1PDK3PDK4KDM4E
SCHEMBL4857497 0.78 KDM4E (0.46) PDK2PDK1PDK3PDK4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006035308-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-04-06 WO claimed
US-20060069087-A1 Histamine-3 receptor antagonists PFIZER INC 2006-03-30 US claimed
EP-3634404-B1 PYRAZOLE MAGL INHIBITORS H LUNDBECK AS (DK) 2024-11-20 EP disclosed
US-20240083908-A1 TETRAHYDROTHIENOPYRIMIDINESULFONAMIDE COMPOUNDS ALIVEXIS, INC. (JP) 2024-03-14 US disclosed
CN-111050765-B Spiro compounds and methods of making and using the same H.隆德贝克有限公司 2024-01-02 CN disclosed
EP-4269415-A1 TETRAHYDRO THIENOPYRIDINE SULFONAMIDE COMPOUND Modulus Discovery, Inc. (JP) 2023-11-01 EP disclosed
EP-3675847-B1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H LUNDBECK AS (DK) 2023-07-12 EP disclosed
EP-3675847-B1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H LUNDBECK AS (DK) 2023-07-12 EP disclosed
CN-110678177-B Pyrazole MAGL inhibitors H.隆德贝克有限公司 2023-06-13 CN disclosed
US-20230159536-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-05-25 US disclosed
US-20230159536-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-05-25 US disclosed
WO-2009064250-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 065 ASTRAZENECA AB (SE) 2009-05-22 WO disclosed
US-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 ASTRAZENECA AB (SE) 2009-05-21 US disclosed
US-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 ASTRAZENECA AB (SE) 2009-05-21 US disclosed
US-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 ASTRAZENECA AB (SE) 2009-05-21 US disclosed
US-20070072911-A1 Indoles and azaindoles as antiviral agents AVOLIO SALVATORE 2007-03-29 US disclosed
EP-1673081-A1 INDOLES AND AZAINDOLES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2006-06-28 EP disclosed
WO-2006035308-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-04-06 WO disclosed
US-20060069087-A1 Histamine-3 receptor antagonists PFIZER INC 2006-03-30 US disclosed
WO-2005034941-A1 INDOLES AND AZAINDOLES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2005-04-21 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 (5 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-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 PTGER1, CYP3A5, SULT1E1 PDK2 1125/4885PDK1 795/4885PDK3 855/4885
US-20240083908-A1 TETRAHYDROTHIENOPYRIMIDINESULFONAMIDE COMPOUNDS TYMS, TYMP, TPMT PDK2 1370/4885PDK1 1036/4885PDK3 2562/4885
US-20230159536-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS C5, C9, C1QBP PDK2 796/4885PDK1 723/4885PDK3 1733/4885
US-20060069087-A1 Histamine-3 receptor antagonists HRH3, HRH4, HRH2 PDK2 2919/4885PDK1 2630/4885PDK3 1792/4885
US-20070072911-A1 Indoles and azaindoles as antiviral agents IDO1, IDO2, NAT1 PDK2 3189/4885PDK1 4424/4885PDK3 2815/4885

“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.