SCHEMBL4848416

SCHEMBL4848416

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.44
HTT P42858 1/20 0.44
NTRK1 P04629 9/20 0.43
KDR P35968 6/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDGFRB P09619 3/20 0.39
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
XBP1 P17861 1/20 0.34

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
SCHEMBL3074524 0.99 NTRK1 (0.43) HSD17B10HTTNTRK1KDRLMNA
SCHEMBL7831216 0.91 LMNA (0.40) HSD17B10HTTNTRK1KDRLMNA
SCHEMBL3082253 0.90 HSD17B10 (0.48) HSD17B10HTTNTRK1KDRLMNA
SCHEMBL3087111 0.90 HSD17B10 (0.48) HSD17B10HTTNTRK1KDRLMNA
SCHEMBL3096082 0.89 HSD17B10 (0.45) HSD17B10HTTNTRK1KDRLMNA
SCHEMBL3093980 0.89 HSD17B10 (0.47) HSD17B10HTTNTRK1KDRLMNA
SCHEMBL3081486 0.89 HSD17B10 (0.47) HSD17B10HTTNTRK1KDRLMNA
SCHEMBL3083907 0.89 HSD17B10 (0.47) HSD17B10HTTNTRK1KDRLMNA
SCHEMBL3083364 0.88 HSD17B10 (0.44) HSD17B10HTTNTRK1KDRLMNA
SCHEMBL3084389 0.88 KDR (0.47) HSD17B10HTTNTRK1KDRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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-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.