SCHEMBL10308346

SCHEMBL10308346

CC(=O)NC(CCC(=O)C(C)C)C(=O)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ THPO P40225 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CHRM2 P08172 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.33
▸ FOLH1 Q04609 4/20 0.32
▸ NAALAD2 Q9Y3Q0 2/20 0.31
▸ RIMKLA Q8IXN7 1/20 0.31
▸ GNPAT O15228 1/20 0.30
▸ PAM P19021 1/20 0.30

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
SCHEMBL23685458 1.00 ALDH1A1 (0.41) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL12537111 0.86 ALDH1A1 (0.42) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL10308608 0.86 ALDH1A1 (0.42) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL25454303 0.86 ALDH1A1 (0.42) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL12537168 0.83 DPP4 (0.40) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL25448139 0.80 CTSC (0.34) —
SCHEMBL10308362 0.80 KDM4E (0.45) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL12537183 0.80 ALDH1A1 (0.44) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL20756564 0.79 NOD1 (0.36) ALDH1A1
SCHEMBL20122041 0.79 NOD1 (0.50) ALDH1A1MAPTKDM4ETHRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202756-A1 USE OF PRODRUGS TO AVOID GI MEDIATED ADVERSE EVENTS FRANKLIN RICHARD (GB) 2012-08-09 — — US disclosed
US-20120184532-A1 GALANTAMINE AMINO ACID AND PEPTIDE PRODRUGS AND USES THEREOF SHIRE LLC (US) 2012-07-19 — — US disclosed
US-20120178666-A1 PRODRUGS OF GUANFACINE SHIRE LLC (US) 2012-07-12 — — US disclosed
US-20110098278-A1 GALANTAMINE AMINO ACID AND PEPTIDE PRODRUGS AND USES THEREOF SHIRE LLC (US) 2011-04-28 — — US disclosed
US-20110065796-A1 PRODRUGS OF GUANFACINE SHIRE LLC (US) 2011-03-17 — — US disclosed
US-20110028552-A1 MEXILETINE AMINO ACID AND PEPTIDE PRODRUGS AND USES THEREOF SHIRE LLC 2011-02-03 — — US disclosed
US-20100286186-A1 NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE LLC (US) 2010-11-11 — — 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 (7 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-20100286186-A1 NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF VIP, OPRL1, OPRK1 ALDH1A1 1313/4885MAPT 1430/4885KDM4E 1873/4885
US-20110098278-A1 GALANTAMINE AMINO ACID AND PEPTIDE PRODRUGS AND USES THEREOF PEPD, VIP, GALR1 ALDH1A1 3187/4885MAPT 365/4885KDM4E 2154/4885
US-20120202756-A1 USE OF PRODRUGS TO AVOID GI MEDIATED ADVERSE EVENTS OPRM1, UGT1A6, UGT1A4 ALDH1A1 327/4885MAPT 1661/4885KDM4E 2296/4885
US-20120184532-A1 GALANTAMINE AMINO ACID AND PEPTIDE PRODRUGS AND USES THEREOF PEPD, VIP, GALR1 ALDH1A1 3187/4885MAPT 365/4885KDM4E 2154/4885
US-20120178666-A1 PRODRUGS OF GUANFACINE DNPEP, VIP, GDA ALDH1A1 677/4885MAPT 1107/4885KDM4E 1653/4885
US-20110028552-A1 MEXILETINE AMINO ACID AND PEPTIDE PRODRUGS AND USES THEREOF VIP, TRPV1, LNPEP ALDH1A1 2722/4885MAPT 3854/4885KDM4E 1788/4885
US-20110065796-A1 PRODRUGS OF GUANFACINE DNPEP, VIP, GDA ALDH1A1 677/4885MAPT 1107/4885KDM4E 1653/4885

“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.

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