Sugi Predict

Sugi Predict / Compounds / SCHEMBL5026580

SCHEMBL5026580

SCHEMBL5026580

C=CCC[C@@H](O)C(O)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ USP2 O75604 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ LMNA P02545 2/20 0.34
▸ RECQL P46063 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ METAP2 P50579 3/20 0.33
▸ METAP1 P53582 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PLA2G2C Q5R387 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.32
▸ ALOX15 P16050 1/20 0.31

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
SCHEMBL27408320 1.00 CYP2D6 (0.37) CYP2D6CYP2C19ALDH1A1USP2CYP3A4
SCHEMBL1893144 0.85 TSHR (0.37) CYP2D6CYP2C19ALDH1A1USP2CYP3A4
SCHEMBL27604138 0.83 TDP1 (0.38) ALDH1A1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL27411781 0.83 ALDH1A1 (0.39) CYP2D6CYP2C19ALDH1A1USP2CYP3A4
SCHEMBL28077285 0.83 TSHR (0.47) CYP2C19ALDH1A1USP2CYP3A4MAPT
SCHEMBL29059967 0.81 ALDH1A1 (0.38) CYP2D6CYP2C19ALDH1A1USP2CYP3A4
SCHEMBL27537985 0.80 SMN1; SMN2 (0.36) CYP2D6ALDH1A1USP2CYP3A4MAPT
SCHEMBL2203256 0.79 L3MBTL1 (0.43) ALDH1A1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL15712645 0.77 TSHR (0.39) CYP2D6CYP2C19ALDH1A1USP2CYP3A4
Butane SCHEMBL6824986 0.76 L3MBTL1 (0.42) ALDH1A1USP2CYP3A4MAPTSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312466-A1 Synthesis and intermediates OHRLEIN REINHOLD 2008-12-18 — — US claimed
US-20040186313-A1 Process for the preparation of intermediates useful in the synthesis of statin derivatives especially 7-amino 3 5-dihydroxy heptanoic acid derivatives, and intermediates thereof CIBA SPECIALTY CHEMICALS CORP. 2004-09-23 — — US claimed
EP-1404639-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF STATIN DERIVATIVES ESPECIALLY 7-AMINO 3,5-DIHYDROXY HEPTANOIC ACID DERIVATIVES, AND INTERMEDIATES THEREOF Ciba SC Holding AG (CH) 2004-04-07 — — EP claimed
WO-2003004450-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF STATIN DERIVATIVES ESPECIALLY 7-AMINO 3,5-DIHYDROXY HEPTANOIC ACID DERIVATIVES, AND INTERMEDIATES THEREOF CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-01-16 — — WO claimed

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-20040186313-A1 Process for the preparation of intermediates useful in the synthesis of statin derivatives especially 7-amino 3 5-dihydroxy heptanoic acid derivatives, and intermediates thereof HMGCR, CYP46A1, CYP7A1 CYP2D6 168/4885CYP2C19 212/4885ALDH1A1 490/4885
US-20080312466-A1 Synthesis and intermediates HMGCR, SREBF1, COASY CYP2D6 492/4885CYP2C19 252/4885ALDH1A1 1326/4885

“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.