SCHEMBL3086818

SCHEMBL3086818

CCCCCSc1nsc(NC(C)=O)c1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.46
POLB P06746 1/20 0.46
NTRK1 P04629 9/20 0.45
ALPL P05186 1/20 0.41
XBP1 P17861 1/20 0.40
MAPK8 P45983 1/20 0.39
HAO1 Q9UJM8 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
SCHEMBL3094542 0.91 HSD17B10 (0.53) HSD17B10HTTRAB9ANPC1LMNA
SCHEMBL3087111 0.88 HSD17B10 (0.48) HSD17B10HTTRAB9ANPC1LMNA
SCHEMBL3082253 0.88 HSD17B10 (0.48) HSD17B10HTTRAB9ANPC1LMNA
SCHEMBL3089387 0.88 NTRK1 (0.59) HSD17B10HTTRAB9ANPC1LMNA
SCHEMBL3083907 0.87 HSD17B10 (0.47) HSD17B10HTTRAB9ANPC1LMNA
SCHEMBL3081486 0.87 HSD17B10 (0.47) HSD17B10HTTRAB9ANPC1LMNA
SCHEMBL3093980 0.87 HSD17B10 (0.47) HSD17B10HTTRAB9ANPC1LMNA
SCHEMBL3083847 0.86 HSD17B10 (0.49) HSD17B10HTTRAB9ANPC1LMNA
SCHEMBL3085757 0.86 HSD17B10 (0.49) HSD17B10HTTRAB9ANPC1LMNA
SCHEMBL3089833 0.86 NTRK1 (0.58) HSD17B10HTTRAB9ANPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380214-B1 THIOPHENE-3-CARBOXYLIC ACID AMIDE DERIVATIVES PFIZER INC. 2002-04-30 US claimed
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-6380214-B1 THIOPHENE-3-CARBOXYLIC ACID AMIDE DERIVATIVES PFIZER INC. 2002-04-30 US disclosed
EP-1187826-A1 HETEROCYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2002-03-20 EP 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-2000071532-A1 HETEROCYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2000-11-30 WO 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 4122/4885RAB9A 2491/4885
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 3743/4885RAB9A 3104/4885
US-20030149048-A1 Isothiazole derivatives useful as anticancer agents TP53, MCL1, ACIN1 HSD17B10 2103/4885HTT 4122/4885RAB9A 2491/4885

“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.