SCHEMBL3083364

SCHEMBL3083364

CCCCCCSc1nsc(NC(=O)NCC(C)C)c1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.44
HTT P42858 1/20 0.44
NTRK1 P04629 10/20 0.44
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EPHX1 P07099 1/20 0.40
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
XBP1 P17861 1/20 0.37
KDR P35968 4/20 0.36
PDGFRB P09619 2/20 0.35

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
SCHEMBL3096082 0.99 HSD17B10 (0.45) HSD17B10HTTNTRK1LMNASMN1; SMN2
SCHEMBL3081245 0.93 HSD17B10 (0.44) HSD17B10HTTNTRK1LMNASMN1; SMN2
SCHEMBL3094923 0.92 HSD17B10 (0.44) HSD17B10HTTNTRK1LMNASMN1; SMN2
SCHEMBL3074524 0.90 NTRK1 (0.43) HSD17B10HTTNTRK1LMNASMN1; SMN2
SCHEMBL4850362 0.90 HSD17B10 (0.43) HSD17B10HTTNTRK1LMNASMN1; SMN2
SCHEMBL3087604 0.89 HSD17B10 (0.48) HSD17B10HTTNTRK1LMNASMN1; SMN2
SCHEMBL3086199 0.89 HSD17B10 (0.42) HSD17B10HTTNTRK1LMNASMN1; SMN2
SCHEMBL4848416 0.88 HSD17B10 (0.44) HSD17B10HTTNTRK1LMNASMN1; SMN2
SCHEMBL3093980 0.88 HSD17B10 (0.47) HSD17B10HTTNTRK1LMNASMN1; SMN2
SCHEMBL3083907 0.88 HSD17B10 (0.47) HSD17B10HTTNTRK1LMNAEPHX1

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 HSD17B10 2103/4885HTT 4122/4885NTRK1 4363/4885
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 HSD17B10 2930/4885HTT 3743/4885NTRK1 772/4885
US-20030149048-A1 Isothiazole derivatives useful as anticancer agents TP53, MCL1, ACIN1 HSD17B10 2103/4885HTT 4122/4885NTRK1 4363/4885

“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.