SCHEMBL6133474

SCHEMBL6133474

CCCn1nc(-c2sc(C(=O)OCC)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
HSD17B10 Q99714 4/20 0.48
CYP1A2 P05177 3/20 0.48
PTGS2 P35354 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 4/20 0.43
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
CYP2C9 P11712 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 1/20 0.42
CYP3A4 P08684 1/20 0.42
RARA P10276 1/20 0.41
RARB P10826 1/20 0.41

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
SCHEMBL6133966 0.92 HTT (0.52) HTTHSD17B10CYP1A2PTGS2SMN1; SMN2
SCHEMBL6133469 0.91 HTT (0.47) HTTHSD17B10CYP1A2PTGS2SMN1; SMN2
SCHEMBL6133344 0.89 SMN1; SMN2 (0.55) HTTHSD17B10CYP1A2PTGS2SMN1; SMN2
SCHEMBL6134322 0.89 PTGS2 (0.46) HTTHSD17B10CYP1A2PTGS2SMN1; SMN2
SCHEMBL6133255 0.87 HTT (0.47) HTTHSD17B10CYP1A2PTGS2SMN1; SMN2
SCHEMBL6133851 0.87 HSD17B10 (0.45) HTTHSD17B10CYP1A2SMN1; SMN2POLB
SCHEMBL6133496 0.85 KDM4E (0.54) HTTHSD17B10CYP1A2SMN1; SMN2POLB
SCHEMBL6133443 0.84 HSD17B10 (0.50) HTTHSD17B10CYP1A2SMN1; SMN2POLB
SCHEMBL6133924 0.84 PTGS2 (0.44) HTTHSD17B10CYP1A2PTGS2SMN1; SMN2
SCHEMBL6133697 0.82 HSD17B10 (0.46) HTTHSD17B10CYP1A2SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004134-A1 Thiazole derivative and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2005-01-06 US disclosed
EP-1441732-A2 THIAZOLE DERIVATIVE AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-04 EP disclosed
WO-2003039451-A2 THIAZOLE PYRIDAZINONES AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-15 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 (1 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-20050004134-A1 Thiazole derivative and pharmaceutical use thereof MC2R, CYP2C9, OXTR HTT 477/4885HSD17B10 391/4885CYP1A2 114/4885

“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.