SCHEMBL3090134

SCHEMBL3090134

NC(=O)c1c(SCCC(c2ccccc2)c2ccccc2)nsc1NC(=O)NCc1ccc(F)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 15/20 0.45
TRPV1 Q8NER1 1/20 0.36
ACVR2A P27037 1/20 0.36
TGFBR2 P37173 1/20 0.36
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
PSMB1 P20618 1/20 0.36
PSMB5 P28074 1/20 0.36
PSMB2 P49721 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
SCHEMBL3079736 0.89 NTRK1 (0.48) NTRK1TRPV1ACVR2ATGFBR2AURKA
SCHEMBL3087809 0.81 NTRK1 (0.69) NTRK1
SCHEMBL3091843 0.81 NTRK1 (0.49) NTRK1
SCHEMBL3086640 0.80 NTRK1 (0.60) NTRK1
SCHEMBL3084017 0.80 KDR (0.53) NTRK1
SCHEMBL3087746 0.79 NTRK1 (0.48) NTRK1
SCHEMBL3077363 0.79 NTRK1 (0.55) NTRK1ACVR2ATGFBR2
SCHEMBL3073921 0.78 NTRK1 (0.57) NTRK1ACVR2ATGFBR2
SCHEMBL3071004 0.78 NTRK1 (0.49) NTRK1ACVR2ATGFBR2AURKAAURKB
SCHEMBL3088764 0.78 NTRK1 (0.54) NTRK1ACVR2ATGFBR2

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 4363/4885TRPV1 4326/4885ACVR2A 4702/4885
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 772/4885TRPV1 4355/4885ACVR2A 2547/4885
US-20030149048-A1 Isothiazole derivatives useful as anticancer agents TP53, MCL1, ACIN1 NTRK1 4363/4885TRPV1 4326/4885ACVR2A 4702/4885

“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.