SCHEMBL5037405

SCHEMBL5037405

CC(=O)OCc1csc(C(C)=O)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.40
ALDH1A1 P00352 6/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 10/20 0.38
NPC1 O15118 8/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
MAPT P10636 5/20 0.37
TSHR P16473 3/20 0.36
TP53 P04637 2/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
MAPK1 P28482 2/20 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
SCHEMBL1421408 0.84 ALDH1A1 (0.44) PKMALDH1A1KMT2AMEN1CYP1A2
SCHEMBL20130301 0.79 PKM (0.37) PKMALDH1A1KMT2AMEN1CYP1A2
SCHEMBL354383 0.79 GABRA5 (0.54) PKMALDH1A1KMT2AMEN1RAB9A
SCHEMBL5034313 0.78 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL1614004 0.78 ALDH1A1 (0.39) PKMALDH1A1KMT2AMEN1RAB9A
SCHEMBL16603280 0.78 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1RAB9ANPC1
Hydrochloric Acid SCHEMBL3938906 0.78 GABRA5 (0.53) PKMALDH1A1KMT2AMEN1RAB9A
SCHEMBL15349137 0.78 MAPT (0.35) PKMALDH1A1KMT2AMEN1RAB9A
SCHEMBL855209 0.77 KMT2A (0.38) ALDH1A1KMT2AMEN1CYP1A2CYP2C19
SCHEMBL855213 0.77 SMN1; SMN2 (0.57) ALDH1A1KMT2ARAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1605946-B1 THIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2008-05-28 EP disclosed
US-7276502-B2 Thiazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-02 US disclosed
EP-1605946-A2 THIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2005-12-21 EP disclosed
US-20050004150-A1 For therapy and prophylaxis of immunodeficiency disorders, inflammatory diseases, allergic diseases, autoimmune diseases, proliferative disorders, immunologically-mediated diseases, or respiratory disorders VERTEX PHARMACEUTICALS INCORPORATED 2005-01-06 US disclosed
WO-2004087699-A2 THIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-10-14 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-20050004150-A1 For therapy and prophylaxis of immunodeficiency disorders, inflammatory diseases, allergic diseases, autoimmune diseases, proliferative disorders, immunologically-mediated diseases, or respiratory disorders TSLP, JAK1, SERPINB1 PKM 821/4885ALDH1A1 2984/4885KMT2A 1583/4885

“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.