SCHEMBL3085444

SCHEMBL3085444

NC(=O)c1c(SCc2ccc(Cl)s2)nsc1NC(=O)NCCN1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.56
PDGFRB P09619 6/20 0.53
FLT1 P17948 5/20 0.53
NTRK1 P04629 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
CNR1 P21554 1/20 0.46
LMNA P02545 3/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
SHMT2 P34897 1/20 0.39
EPHX2 P34913 1/20 0.39
HTR1A P08908 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
KCNH2 Q12809 1/20 0.39
CD274 Q9NZQ7 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
SCHEMBL3083457 0.90 KDR (0.56) KDRPDGFRBFLT1NTRK1SMN1; SMN2
SCHEMBL4853396 0.89 KDR (0.55) KDRPDGFRBFLT1NTRK1CNR1
SCHEMBL3090380 0.87 NTRK1 (0.65) KDRPDGFRBFLT1NTRK1SMN1; SMN2
SCHEMBL3081374 0.81 KDR (0.55) KDRPDGFRBFLT1NTRK1SMN1; SMN2
SCHEMBL3079338 0.81 NTRK1 (0.51) NTRK1
SCHEMBL3084925 0.81 NTRK1 (0.47) KDRPDGFRBFLT1NTRK1
SCHEMBL3081528 0.80 NTRK1 (0.54) KDRNTRK1
SCHEMBL3083142 0.79 KDR (0.61) KDRPDGFRBFLT1SMN1; SMN2CNR1
SCHEMBL3094936 0.79 KDR (0.60) KDRPDGFRBFLT1NTRK1SMN1; SMN2
SCHEMBL3093513 0.79 KDR (0.55) KDRPDGFRBFLT1NTRK1SMN1; SMN2

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 KDR 2745/4885PDGFRB 3361/4885FLT1 1112/4885
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 KDR 470/4885PDGFRB 741/4885FLT1 223/4885
US-20030149048-A1 Isothiazole derivatives useful as anticancer agents TP53, MCL1, ACIN1 KDR 2745/4885PDGFRB 3361/4885FLT1 1112/4885

“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.