SCHEMBL3263207

SCHEMBL3263207

C=CCOC(=O)N[C@@H](CCC(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
CASP1 P29466 15/20 0.43
FOLH1 Q04609 3/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL17232237 0.89 SMN1; SMN2 (0.57) SMN1; SMN2CASP1FOLH1
SCHEMBL6808253 0.86 CASP1 (0.52) SMN1; SMN2CASP1
SCHEMBL21332465 0.86 CASP1 (0.47) SMN1; SMN2CASP1FOLH1ALDH1A1
SCHEMBL10882993 0.86 CASP1 (0.47) SMN1; SMN2CASP1FOLH1ALDH1A1
SCHEMBL10884349 0.86 CASP1 (0.47) SMN1; SMN2CASP1FOLH1ALDH1A1
SCHEMBL3773280 0.84 CTSK (0.48) FOLH1
SCHEMBL863895 0.84 CTSK (0.48) FOLH1
SCHEMBL863894 0.84 CTSK (0.48) FOLH1
SCHEMBL15083134 0.84 KMT2A (0.37) SMN1; SMN2FOLH1
SCHEMBL25749303 0.84 SMN1; SMN2 (0.60) SMN1; SMN2CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1371646-B1 ARYL-SUBSTITUTED ALICYCLIC COMPOUND AND MEDICAL COMPOSITION COMPRISING THE SAME DAINIPPON SUMITOMO PHARMA CO (JP) 2010-05-19 EP disclosed
US-7176199-B2 Aryl-substituted alicyclic compound and medical composition comprising the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2007-02-13 US disclosed
US-20040106622-A1 Aryl-substituted alicylic compound and medical composition comprising the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 US disclosed
EP-1371646-A1 ARYL-SUBSTITUTED ALICYCLIC COMPOUND AND MEDICAL COMPOSITION COMPRISING THE SAME Dainippon Pharmaceutical Co., Ltd. (JP) 2003-12-17 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-20040106622-A1 Aryl-substituted alicylic compound and medical composition comprising the same ITGB3, ITGB1, ITGAL SMN1; SMN2 3827/4885CASP1 2322/4885FOLH1 2291/4885

“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.