Sugi Predict

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SCHEMBL2381923

SCHEMBL2381923

COC(=O)C(NC(=O)OC(C(=O)c1ccccc1)c1ccccc1)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ KMT2A Q03164 5/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ POLB P06746 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ ADRB2 P07550 1/20 0.43
▸ TAS1R3 Q7RTX0 1/20 0.42
▸ TAS1R1 Q7RTX1 1/20 0.42
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.40

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
SCHEMBL12246309 1.00 ALDH1A1 (0.55) ALDH1A1CYP3A4KMT2AMEN1POLB
SCHEMBL12246290 0.81 PTGS1 (0.42) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL2381114 0.81 PTGS1 (0.42) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL2382253 0.79 ALDH1A1 (0.55) ALDH1A1CYP3A4POLBRAB9ACYP2C9
SCHEMBL750085 0.77 ALDH1A1 (0.72) ALDH1A1CYP3A4KMT2AMEN1POLB
SCHEMBL22289247 0.75 ALDH1A1 (0.70) ALDH1A1CYP3A4KMT2AMEN1POLB
SCHEMBL27752446 0.74 ALDH1A1 (0.63) ALDH1A1CYP3A4KMT2AMEN1POLB
SCHEMBL20895760 0.73 ALDH1A1 (0.62) ALDH1A1CYP3A4KMT2AMEN1POLB
SCHEMBL8348384 0.73 ALDH1A1 (0.61) ALDH1A1CYP3A4KMT2AMEN1POLB
SCHEMBL9421783 0.73 SLC1A3 (0.56) ALDH1A1KMT2AMEN1MAPTSMN1; 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-8017776-B2 Methods for synthesis of acyloxyalkyl compounds XENOPORT, INC. (US) 2011-09-13 — — US disclosed
US-20100041882-A1 METHODS FOR SYNTHESIS OF ACYLOXYALKYL COMPOUNDS XENOPORT, INC. (US) 2010-02-18 — — US disclosed
US-7662987-B2 Oxidation of 1-acyl alkyl compound under anhydrous condition XENOPORT, INC. (US) 2010-02-16 — — US disclosed
US-20050070715-A1 Methods for synthesis of acyloxyalkyl compounds ARBOR PHARMACEUTICALS, LLC 2005-03-31 — — US disclosed
WO-2005010011-A2 METHODS OF SYNTHESIS OF ACYLOXYALKYL COMPOUNDS XENOPORT, INC. (US) 2005-02-03 — — WO 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-20050070715-A1 Methods for synthesis of acyloxyalkyl compounds AADAC, CYP2D6, CYP3A7 ALDH1A1 103/4885CYP3A4 6/4885KMT2A 2674/4885
US-20100041882-A1 METHODS FOR SYNTHESIS OF ACYLOXYALKYL COMPOUNDS AADAC, CYP2D6, CYP3A7 ALDH1A1 103/4885CYP3A4 6/4885KMT2A 2674/4885

“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.