Sugi Predict

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SCHEMBL828459

SCHEMBL828459

N#CCCOC(=O)CC1(CNC(=O)OC(C(=O)c2ccccc2)c2ccccc2)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CTSK P43235 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CTSL P07711 3/20 0.35
▸ CTSB P07858 2/20 0.35
▸ CTSS P25774 2/20 0.35
▸ MAPT P10636 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ CYP2C19 P33261 3/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ EGLN2 Q96KS0 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
SCHEMBL828254 0.86 CTSK (0.35) KMT2ACTSKCTSLCTSBCTSS
Acetic Acid SCHEMBL828460 0.85 ALDH1A1 (0.44) CYP3A4ALDH1A1KMT2AMEN1TDP1
SCHEMBL25645 0.84 ALDH1A1 (0.45) CYP3A4ALDH1A1KMT2AMEN1TDP1
SCHEMBL5147240 0.72 ALDH1A1 (0.52) CYP3A4ALDH1A1KMT2AMEN1TDP1
Acetic Acid SCHEMBL828255 0.71 CTSK (0.38) ALDH1A1KMT2ACTSKCTSLCTSB
SCHEMBL25331 0.69 GAA (0.39) ALDH1A1KMT2ALMNACYP1A2EGLN2
SCHEMBL828154 0.69 ALDH1A1 (0.45) ALDH1A1KMT2ASMN1; SMN2LMNACYP2C19
SCHEMBL25883 0.68 LMNA (0.41) ALDH1A1KMT2AMEN1SMN1; SMN2POLB
SCHEMBL6101144 0.67 LMNA (0.51) ALDH1A1KMT2AMEN1CTSKSMN1; SMN2
SCHEMBL11964041 0.66 ALDH1A1 (0.58) CYP3A4ALDH1A1KMT2AMEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143437-B2 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof XENOPORT, INC. (US) 2012-03-27 — — US disclosed
US-20090239950-A1 METHODS FOR SYNTHESIS OF PRODRUGS FROM 1-ACYL-ALKYL DERIVATIVES AND COMPOSITIONS THEREOF XENOPORT, INC. (US) 2009-09-24 — — US disclosed
US-7560483-B2 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof XENOPORT, INC. (US) 2009-07-14 — — US disclosed
US-20050239725-A1 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof XENOPORT, INC. 2005-10-27 — — US disclosed
US-6927036-B2 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof XERO PORT, INC. (US) 2005-08-09 — — US disclosed
US-20030171303-A1 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof ARBOR PHARMACEUTICALS, LLC 2003-09-11 — — 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 (3 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-20090239950-A1 METHODS FOR SYNTHESIS OF PRODRUGS FROM 1-ACYL-ALKYL DERIVATIVES AND COMPOSITIONS THEREOF AADAC, UGT1A1, ABHD5 CYP3A4 18/4885ALDH1A1 126/4885KMT2A 1244/4885
US-20030171303-A1 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof AADAC, UGT1A1, AGPAT5 CYP3A4 22/4885ALDH1A1 158/4885KMT2A 1253/4885
US-20050239725-A1 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof AADAC, UGT1A1, ABHD5 CYP3A4 18/4885ALDH1A1 126/4885KMT2A 1244/4885

“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.