SCHEMBL3074524

SCHEMBL3074524

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 9/20 0.43
HSD17B10 Q99714 2/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDR P35968 6/20 0.39
PDGFRB P09619 3/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
XBP1 P17861 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
SCHEMBL4848416 0.99 HSD17B10 (0.44) NTRK1HSD17B10HTTLMNASMN1; SMN2
SCHEMBL3081486 0.91 HSD17B10 (0.47) NTRK1HSD17B10HTTLMNAKDR
SCHEMBL3093980 0.91 HSD17B10 (0.47) NTRK1HSD17B10HTTLMNASMN1; SMN2
SCHEMBL3083907 0.91 HSD17B10 (0.47) NTRK1HSD17B10HTTLMNAKDR
SCHEMBL3083364 0.90 HSD17B10 (0.44) NTRK1HSD17B10HTTLMNASMN1; SMN2
SCHEMBL7831216 0.90 LMNA (0.40) NTRK1HSD17B10HTTLMNASMN1; SMN2
SCHEMBL3082253 0.89 HSD17B10 (0.48) NTRK1HSD17B10HTTLMNAKDR
SCHEMBL3087111 0.89 HSD17B10 (0.48) NTRK1HSD17B10HTTLMNAKDR
SCHEMBL3085783 0.89 KDR (0.46) NTRK1HSD17B10HTTLMNASMN1; SMN2
SCHEMBL3096082 0.89 HSD17B10 (0.45) NTRK1HSD17B10HTTLMNASMN1; 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 NTRK1 4363/4885HSD17B10 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 NTRK1 772/4885HSD17B10 2930/4885HTT 3743/4885
US-20030149048-A1 Isothiazole derivatives useful as anticancer agents TP53, MCL1, ACIN1 NTRK1 4363/4885HSD17B10 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.