SCHEMBL5015442

SCHEMBL5015442

CC(C)(C)OC(=O)Cn1ccc2c(O)cccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.49
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 1/20 0.39
HDAC6 Q9UBN7 2/20 0.38
GAA P10253 1/20 0.37
HTR6 P50406 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.36
ELANE P08246 1/20 0.36
POLB P06746 2/20 0.36
SCN9A Q15858 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35

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
SCHEMBL25337176 0.85 KDM4E (0.41) KDM4EALDH1A1HSD17B10KMT2AHDAC6
SCHEMBL3874161 0.82 ALDH1A1 (0.53) HTR2CKDM4EALDH1A1KMT2APOLB
SCHEMBL5025466 0.79 LOXL2 (0.40) HTR2CKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL3597779 0.78 KMT2A (0.59) HTR2CKDM4EALDH1A1KMT2A
SCHEMBL30229742 0.78 KMT2A (0.59) HTR2CKDM4EALDH1A1KMT2A
SCHEMBL3169119 0.77 KMT2A (0.57) HTR2CKDM4EALDH1A1KMT2AHTR6
SCHEMBL27636201 0.77 HTR2C (0.48) HTR2CKDM4EALDH1A1HSD17B10HTR6
SCHEMBL5016775 0.76 HDAC6 (0.39) KDM4EALDH1A1KMT2AHDAC6HTR6
SCHEMBL3836430 0.75 L3MBTL1 (0.45) HTR2CKMT2AHTR6CHRM2CHRM4
SCHEMBL21603406 0.75 FPR2 (0.44) KDM4EALDH1A1HSD17B10HDAC6ELANE

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-1644368-B1 INDOLYL DERIVATIVES SUBSTITUTED WITH A THIAZOLE RING AND THEIR USE AS PPAR MODULATORS HOFFMANN LA ROCHE (CH) 2008-08-27 EP disclosed
US-7235572-B2 Thiazolyl-indole derivatives, their manufacture and use as pharmaceutical agents HOFFMAN-LA ROCHE INC. (US) 2007-06-26 US disclosed
EP-1644368-A1 INDOLYL DERIVATIVES SUBSTITUTED WITH A THIAZOLE RING AND THEIR USE AS PPAR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-04-12 EP disclosed
WO-2005005423-A1 INDOLYL DERIVATIVES SUBSTITUTED WITH A THIAZOLE RING AND THEIR USE AS PPAR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-01-20 WO disclosed
US-20050004187-A1 Thiazolyl-indole derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-01-06 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-20050004187-A1 Thiazolyl-indole derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG HTR2C 506/4885KDM4E 1998/4885ALDH1A1 627/4885

“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.