SCHEMBL5374352

SCHEMBL5374352

CCOC(=O)C1(SCC#CCOCCc2nc(-c3ccc(N(C)C)cc3)oc2C)CCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.39
PPARG P37231 13/20 0.36
PPARA Q07869 13/20 0.36
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
TARBP2 Q15633 2/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL5365560 0.92 ALDH1A1 (0.42) HSD17B10PPARGPPARAALDH1A1SMN1; SMN2
SCHEMBL5365691 0.90 PPARG (0.37) HSD17B10PPARGPPARA
SCHEMBL14468446 0.88 HSD17B10 (0.41) HSD17B10PPARGPPARAALDH1A1SMN1; SMN2
SCHEMBL5382855 0.82 PPARG (0.46) HSD17B10PPARGPPARAALDH1A1SMN1; SMN2
SCHEMBL5369422 0.81 HSD17B10 (0.53) HSD17B10PPARGPPARAALDH1A1SMN1; SMN2
SCHEMBL5374650 0.80 HSD17B10 (0.39) HSD17B10PPARGPPARAALDH1A1SMN1; SMN2
SCHEMBL14468329 0.79 ALDH1A1 (0.45) HSD17B10PPARGPPARAALDH1A1SMN1; SMN2
SCHEMBL5370562 0.79 PPARG (0.42) HSD17B10PPARGPPARAALDH1A1SMN1; SMN2
SCHEMBL14468332 0.77 PPARG (0.39) HSD17B10PPARGPPARA
SCHEMBL7052376 0.76 HSD17B10 (0.38) HSD17B10PPARGPPARAALDH1A1SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040087636-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. 2004-05-06 US claimed
EP-1108713-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-06-20 EP claimed
US-7241784-B2 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-07-10 US disclosed
US-7241784-B2 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-07-10 US disclosed
US-20040087636-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. 2004-05-06 US disclosed
US-6664281-B1 Oxazol-4-yl-alkoxy- or alkthioxy- functionality; peroxisome proliferator activated receptor regulators ONO PHARMACEUTICAL CO., LTD. (JP) 2003-12-16 US disclosed
EP-1108713-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-06-20 EP 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-20040087636-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient PPARA, PPARG, PPARD HSD17B10 127/4885PPARG 2/4885PPARA 1/4885

“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.