Sugi Predict

Sugi Predict / Compounds / SCHEMBL2089430

SCHEMBL2089430

SCHEMBL2089430

CC[C@H](SCC(=O)c1ccc(OCc2c(F)cccc2F)cc1)[C@H](C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.36
▸ MAOB P27338 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ MAPT P10636 4/20 0.34
▸ GAA P10253 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ ALKBH1 Q13686 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ LTA4H P09960 1/20 0.34
▸ GRM5 P41594 1/20 0.33
▸ PARP15 Q460N3 1/20 0.33
▸ PARP14 Q460N5 1/20 0.33
▸ PARP10 Q53GL7 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ANO1 Q5XXA6 2/20 0.33
▸ NPC1 O15118 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
SCHEMBL6763543 0.81 ALDH1A1 (0.40) ALDH1A1MAOBMEN1KMT2APTPN1
SCHEMBL2086618 0.81 ALDH1A1 (0.40) ALDH1A1MAOBMEN1KMT2APTPN1
SCHEMBL2641408 0.81 MEN1 (0.38) ALDH1A1MAOBMEN1KMT2APTPN1
SCHEMBL12934372 0.75 PPARA (0.53) ALDH1A1PTPN1MAPTGAAHPGD
SCHEMBL6322990 0.74 MAOB (0.43) MAOBMEN1KMT2AMAPTGAA
SCHEMBL6322991 0.73 MAOB (0.42) ALDH1A1MAOBMEN1KMT2AMAPT
SCHEMBL27750738 0.71 MAOB (0.45) ALDH1A1MAOBMAPTGAARAB9A
SCHEMBL27594863 0.70 MAOB (0.47) ALDH1A1MAOBMAPTGAARAB9A
SCHEMBL2087206 0.70 MAOB (0.47) ALDH1A1MAOBMAPTGAARAB9A
SCHEMBL4237597 0.69 MAOB (0.43) ALDH1A1MAOBMAPTRAB9ASMN1; 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
US-7863475-B2 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION (US) 2011-01-04 — — US disclosed
US-7851494-B2 Method for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION (US) 2010-12-14 — — US disclosed
US-20070265322-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2007-11-15 — — US disclosed
US-7045541-B2 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION (US) 2006-05-16 — — US disclosed
US-20040267025-A1 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION 2004-12-30 — — 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-20040267025-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B ALDH1A1 1035/4885MAOB 589/4885MEN1 2137/4885
US-20070265322-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS GOT2, OAT, CPT1B ALDH1A1 1035/4885MAOB 589/4885MEN1 2137/4885

“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.