SCHEMBL3078451

SCHEMBL3078451

CN(C)C(=O)Nc1snc(OCc2cccc(C(F)(F)F)c2)c1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.47
ACVR2A P27037 1/20 0.46
TGFBR2 P37173 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
TP53 P04637 1/20 0.45
MAPK8 P45983 1/20 0.42
NR4A2 P43354 2/20 0.41
NR3C2 P08235 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
MRGPRX4 Q96LA9 2/20 0.40
FFAR4 Q5NUL3 2/20 0.39
FFAR1 O14842 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL3083079 0.90 ACVR2A (0.43) MAOBACVR2ATGFBR2L3MBTL1ALDH1A1
SCHEMBL3087682 0.88 MAOB (0.44) MAOBACVR2ATGFBR2TP53MAPK8
SCHEMBL3086638 0.87 ACVR2A (0.48) MAOBACVR2ATGFBR2MAPK8NR4A2
SCHEMBL3082256 0.86 ACVR2A (0.49) MAOBACVR2ATGFBR2L3MBTL1MAPK8
SCHEMBL3078380 0.85 ACVR2A (0.50) ACVR2ATGFBR2ALDH1A1MAPTHTT
SCHEMBL3094408 0.82 ACVR2A (0.44) ACVR2ATGFBR2L3MBTL1ALDH1A1NR4A2
SCHEMBL3090830 0.81 ACVR2A (0.45) ACVR2ATGFBR2ALDH1A1MAPT
SCHEMBL3084724 0.81 ACVR2A (0.44) MAOBACVR2ATGFBR2ALDH1A1GAA
SCHEMBL3092006 0.81 MAOB (0.46) MAOBACVR2ATGFBR2NR3C2IDO1
SCHEMBL3087743 0.80 ACVR2A (0.45) MAOBACVR2ATGFBR2L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790902-B2 Isothiazole derivatives useful as anticancer agents PFIZER, INC. (US) 2010-09-07 US disclosed
US-20080300249-A1 tyrosine kinase inhibitors such as 5-(3,3-Dimethyl-ureido)-3-heptyloxy-isothiazole-4-carboxylic acid amide, used for treating hyperproliferative disorders in mammals; anticarcinogenic agents; antiproliferative agents PFIZER, INC. (US) 2008-12-04 US disclosed
US-7405218-B2 Isothiazole derivatives useful as anticancer agents PFIZER, INC. (US) 2008-07-29 US disclosed
EP-1084114-B1 ISOTHIAZOLE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PROD INC (US) 2004-09-08 EP disclosed
US-20030149048-A1 Isothiazole derivatives useful as anticancer agents PFIZER INC. 2003-08-07 US disclosed
US-6548526-B2 Isothiazole derivatives useful as anticancer agents PFIZER INC 2003-04-15 US disclosed
US-20010020034-A1 Isothiazole derivatives useful as anticancer agents PFIZER, INC. 2001-09-06 US disclosed
US-6235764-B1 Isothiazole derivatives useful as anticancer agents PFIZER INC. 2001-05-22 US disclosed
EP-1084114-A1 ISOTHIAZOLE DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2001-03-21 EP disclosed
WO-1999062890-A1 ISOTHIAZOLE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 1999-12-09 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-20010020034-A1 Isothiazole derivatives useful as anticancer agents TP53, MCL1, ACIN1 MAOB 4447/4885ACVR2A 4702/4885TGFBR2 3414/4885
US-20080300249-A1 tyrosine kinase inhibitors such as 5-(3,3-Dimethyl-ureido)-3-heptyloxy-isothiazole-4-carboxylic acid amide, used for treating hyperproliferative disorders in mammals; anticarcinogenic agents; antiproliferative agents CDKN1A, TK1, CDK1 MAOB 3423/4885ACVR2A 2547/4885TGFBR2 1883/4885
US-20030149048-A1 Isothiazole derivatives useful as anticancer agents TP53, MCL1, ACIN1 MAOB 4447/4885ACVR2A 4702/4885TGFBR2 3414/4885

“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.