SCHEMBL60451

SCHEMBL60451

CC(C)(C)C(C(=O)O)c1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
GRM8 O00222 1/20 0.37
GRM7 Q14831 1/20 0.37
GRM4 Q14833 1/20 0.37
CNR2 P34972 2/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL12979898 0.82 PDE2A (0.43) ATML3MBTL1TDP1ADRB2ADRB3
SCHEMBL4630315 0.82 SRC (0.46) ATML3MBTL1TDP1CYP2D6CYP2C9
SCHEMBL16682784 0.82 SRC (0.46) ATML3MBTL1TDP1CYP2D6CYP2C9
SCHEMBL517908 0.82 ATM (0.44) ATML3MBTL1POLBSMN1; SMN2CNR2
SCHEMBL17357501 0.81 L3MBTL1 (0.61) ATML3MBTL1TDP1CYP2D6PTGS2
SCHEMBL66018 0.81 L3MBTL1 (0.61) ATML3MBTL1TDP1CYP2D6PTGS2
SCHEMBL9966433 0.80 CYP1A2 (0.46) ATML3MBTL1POLBSMN1; SMN2MMP1
SCHEMBL8170317 0.80 FFAR2 (0.49) ATML3MBTL1POLBCYP2D6CYP2C9
SCHEMBL9838868 0.80 TDP1 (0.38) TDP1POLBSMN1; SMN2GRM8GRM7
SCHEMBL2431670 0.80 FFAR2 (0.49) ATML3MBTL1POLBCYP2D6CYP2C9

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996563-B1 HETEROBICYCLIC SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2012-03-21 EP disclosed
US-8129365-B2 Water-soluble, fluorescent compounds for detection of potassium ions THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-03-06 US disclosed
US-8030308-B2 Bicyclic sulfonamide derivatives which are L-CPT 1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2011-10-04 US disclosed
US-20110046112-A1 NOVEL BICYCLIC SULFONAMIDE DERIVATIVES WHICH ARE L-CPT1 INHIBITORS ACKERMANN JEAN 2011-02-24 US disclosed
US-7879845-B2 Liver carnitine-dependent palmitoyltransferase (L-CPT1) inhibitors such as 4-{[4-(5-Chloro-2-methoxy-benzenesulfonyl)-3,4-dihydro-2H-benzo[1,4]thiazine-6-carbonyl]-amino}-benzoic acid, used for the treatment of non-insulin dependent diabetes; antidiabetic agents HOFFMANN-LA ROCHE INC. (US) 2011-02-01 US disclosed
US-20080311041-A1 Water-Soluble, Fluorescent Compounds for Detection of Potassium Ions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-18 US disclosed
WO-2007044866-A2 WATER-SOLUBLE, FLUORESCENT COMPOUNDS FOR DETECTION OF POTASSIUM IONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-04-19 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 (2 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-20110046112-A1 NOVEL BICYCLIC SULFONAMIDE DERIVATIVES WHICH ARE L-CPT1 INHIBITORS CPT1A, CPT1B, CPT2 ATM 1981/4885L3MBTL1 1943/4885TDP1 947/4885
US-20080311041-A1 Water-Soluble, Fluorescent Compounds for Detection of Potassium Ions TACR2, KCNJ8, TAC3 ATM 2312/4885L3MBTL1 2225/4885TDP1 2934/4885

“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.