SCHEMBL1692808

SCHEMBL1692808

O=C1CSC(=O)N1CCCl

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.56
GSK3A P49840 3/20 0.52
GSK3B P49841 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ALDH1A1 P00352 4/20 0.46
POLB P06746 1/20 0.45
GAA P10253 2/20 0.44
TSHR P16473 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
PIM1 P11309 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TP53 P04637 1/20 0.38

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
SCHEMBL10977722 0.86 MAPT (0.51) MAPTGSK3AGSK3BSMN1; SMN2HSD17B10
SCHEMBL2360918 0.78 MAPT (0.56) MAPTGSK3AGSK3BSMN1; SMN2HSD17B10
SCHEMBL6073396 0.78 MAPT (0.61) MAPTGSK3AGSK3BSMN1; SMN2HSD17B10
SCHEMBL11173506 0.78 MAPT (0.56) MAPTGSK3AGSK3BSMN1; SMN2HSD17B10
SCHEMBL1693423 0.78 MAPT (0.56) MAPTGSK3AGSK3BSMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL16497346 0.77 MAPT (0.55) MAPTGSK3AGSK3BSMN1; SMN2HSD17B10
SCHEMBL9068830 0.75 MAPT (0.58) MAPTGSK3AGSK3BSMN1; SMN2HSD17B10
SCHEMBL7847379 0.75 MAPT (0.53) MAPTGSK3AGSK3BSMN1; SMN2HSD17B10
SCHEMBL14258620 0.75 MAPT (0.53) MAPTGSK3AGSK3BSMN1; SMN2HSD17B10
SCHEMBL2551379 0.75 MAPT (0.53) MAPTGSK3AGSK3BSMN1; SMN2HSD17B10

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-8796256-B2 Substituted thiazolidinedione indazoles, indoles and benzotriazoles as estrogen-related receptor-α modulators JANSSEN PHARMACEUTICA NV (BE) 2014-08-05 US disclosed
WO-2011149841-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-α MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 WO disclosed
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 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-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS ESR2, IGF1R, ESRRA MAPT 128/4885GSK3A 303/4885GSK3B 291/4885

“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.