SCHEMBL1613433

SCHEMBL1613433

CC(=O)c1c(C)nn2cc(C)sc12

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
TP53 P04637 1/20 0.32
PIM3 Q86V86 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL11904369 0.76 PIK3CA (0.34) HSD17B10ALDH1A1KMT2AKDM4ENPC1
SCHEMBL953097 0.72 ALDH1A1 (0.42) HSD17B10ALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL1613742 0.71 SMN1; SMN2 (0.32) HSD17B10ALDH1A1KMT2AKDM4ENPC1
SCHEMBL9517798 0.66 ALDH1A1 (0.39) HSD17B10ALDH1A1KMT2AKDM4ENPC1
SCHEMBL7427855 0.66 ALDH1A1 (0.36) HSD17B10ALDH1A1KMT2AKDM4ENPC1
SCHEMBL682698 0.64 GAA (0.38) HSD17B10ALDH1A1KMT2AKDM4ENPC1
SCHEMBL683508 0.63 ALDH1A1 (0.39) HSD17B10ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7825017 0.63 ALDH1A1 (0.34) HSD17B10ALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL5848990 0.62 ALDH1A1 (0.51) HSD17B10ALDH1A1KMT2AKDM4ENPC1
SCHEMBL13501623 0.62 KCNJ1 (0.32) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530504-B2 Pyrazolothiazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-09-10 US disclosed
US-8530504-B2 Pyrazolothiazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-09-10 US disclosed
US-8530504-B2 Pyrazolothiazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-09-10 US disclosed
EP-2487178-A1 PYRAZOLOTHIAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2012-08-15 EP disclosed
EP-2487178-A1 PYRAZOLOTHIAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2012-08-15 EP disclosed
US-20110086882-A1 PYRAZOLOTHIAZOLE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-14 US disclosed
US-20110086882-A1 PYRAZOLOTHIAZOLE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-14 US disclosed
US-20110086882-A1 PYRAZOLOTHIAZOLE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-14 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 (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-20110086882-A1 PYRAZOLOTHIAZOLE COMPOUND CRHR1, CNR1, AGTR1 HSD17B10 2766/4885ALDH1A1 1527/4885KMT2A 4039/4885

“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.