SCHEMBL3085783

SCHEMBL3085783

CCCCCCSc1nsc(NC(=O)NCCO)c1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.46
HSD17B10 Q99714 2/20 0.45
HTT P42858 1/20 0.45
NTRK1 P04629 9/20 0.44
PDGFRB P09619 3/20 0.44
RAB9A P51151 2/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
XBP1 P17861 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL3084389 0.99 KDR (0.47) KDRHSD17B10HTTNTRK1PDGFRB
SCHEMBL3086688 0.95 KDR (0.53) KDRHSD17B10HTTNTRK1PDGFRB
SCHEMBL3096684 0.94 KDR (0.49) KDRHSD17B10HTTNTRK1PDGFRB
SCHEMBL4851659 0.94 KDR (0.49) KDRHSD17B10HTTNTRK1PDGFRB
SCHEMBL3088001 0.94 KDR (0.53) KDRHSD17B10HTTNTRK1PDGFRB
SCHEMBL3081486 0.93 HSD17B10 (0.47) KDRHSD17B10HTTNTRK1PDGFRB
SCHEMBL3093980 0.93 HSD17B10 (0.47) KDRHSD17B10HTTNTRK1PDGFRB
SCHEMBL3083907 0.93 HSD17B10 (0.47) KDRHSD17B10HTTNTRK1PDGFRB
SCHEMBL3090118 0.93 KDR (0.50) KDRHSD17B10HTTNTRK1PDGFRB
SCHEMBL3082253 0.92 HSD17B10 (0.48) KDRHSD17B10HTTNTRK1PDGFRB

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 8 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

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 2745/4885HSD17B10 2103/4885HTT 4122/4885
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 470/4885HSD17B10 2930/4885HTT 3743/4885
US-20030149048-A1 Isothiazole derivatives useful as anticancer agents TP53, MCL1, ACIN1 KDR 2745/4885HSD17B10 2103/4885HTT 4122/4885

“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.