Sugi Predict

Sugi Predict / Compounds / SCHEMBL3439004

SCHEMBL3439004

SCHEMBL3439004

CC(C)(C)O[C@@](Cc1ccc(O)cc1)(N=C=O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BLM P54132 2/20 0.48
▸ ESR1 P03372 7/20 0.41
▸ ESR2 Q92731 6/20 0.38
▸ CTSS P25774 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ CA2 P00918 1/20 0.34
▸ CAMK2A Q9UQM7 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL7826229 1.00 BLM (0.48) BLMESR1ESR2CTSSCTSK
SCHEMBL15467506 0.88 CTSS (0.38) BLMCTSSCTSKTSHRRECQL
SCHEMBL1310582 0.86 LDHA (0.40) KMT2AALDH1A1POLBCTBP2PPARA
SCHEMBL28247561 0.86 LDHA (0.40) KMT2AALDH1A1POLBCTBP2PPARA
SCHEMBL4112961 0.76 NPSR1 (0.49) BLMMEN1KMT2ATSHRHSD17B10
SCHEMBL7659271 0.74 KDM4E (0.31) KDM4E
SCHEMBL28858704 0.74 — —
SCHEMBL206553 0.74 SMN1; SMN2 (0.42) TSHRALDH1A1CYP3A4CYP1A2RECQL
SCHEMBL28129053 0.72 ESR1 (0.37) BLMESR1ESR2CTSSCTSK
SCHEMBL7818498 0.71 SMN1; SMN2 (0.40) HSD17B10ALDH1A1POLBRECQLPPARG

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
US-7807669-B2 Biaromatic compounds which activate PPARγ type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-10-05 — — US disclosed
US-20090062340-A1 NOVEL BIAROMATIC COMPOUNDS WHICH ACTIVATE PPARY TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-03-05 — — US disclosed
US-7452878-B2 Biaromatic compounds which activate PPARγ type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-11-18 — — US disclosed
US-20050256116-A1 Novel biaromatic compounds which activate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-11-17 — — 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 (2 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-20090062340-A1 NOVEL BIAROMATIC COMPOUNDS WHICH ACTIVATE PPARY TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF PPARG, PPARA, PPARD BLM 2490/4885ESR1 381/4885ESR2 250/4885
US-20050256116-A1 Novel biaromatic compounds which activate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD BLM 2490/4885ESR1 381/4885ESR2 250/4885

“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.