SCHEMBL976693

SCHEMBL976693

CC(C)CCCC(=O)OCNC(=O)O[C@H](OC(=O)C(C)C)C(C)C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 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
SCHEMBL4300408 1.00 PTPN1 (0.31) PTPN1
SCHEMBL978332 0.87 PTPN1 (0.32) PTPN1
SCHEMBL3401588 0.87 PTPN1 (0.32) PTPN1
Water SCHEMBL979696 0.86 PTPN1 (0.31) PTPN1
Water SCHEMBL4434601 0.86 PTPN1 (0.31) PTPN1
SCHEMBL30122153 0.81 PTPN1 (0.32) PTPN1
Water SCHEMBL980662 0.80 HRH3 (0.38) PTPN1
SCHEMBL17975545 0.77 PTPN1 (0.32) PTPN1
SCHEMBL1814313 0.74 FOLH1 (0.34)
SCHEMBL1813667 0.74 FOLH1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192222-A1 MESOPHASIC FORMS OF (3S)-AMINOMETHYL-5-METHYL-HEXANOIC ACID PRODRUGS AND METHODS OF USE XENOPORT, INC. (US) 2009-07-30 US claimed
EP-2250148-B1 CRYSTALLINE FORM OF CALCIUM-SALTS OF (3S)-AMINOMETHYL-5-METHYL-HEXANOIC ACIDS AND METHODS OF USE XENOPORT INC (US) 2016-08-17 EP disclosed
US-8258179-B2 Crystalline form of a (3S)-aminomethyl-5-methyl-hexanoic acid prodrug and methods of use XENOPORT, INC. (US) 2012-09-04 US disclosed
US-20110224295-A1 CRYSTALLINE FORM OF A (3S)-AMINOMETHYL-5-METHYL-HEXANOIC ACID PRODRUG AND METHODS OF USE XENOPORT, INC. (US) 2011-09-15 US disclosed
US-7872046-B2 Crystalline form of a (3S)-aminomethyl-5-methyl-hexanoic acid prodrug and methods of use XENOPORT, INC. (US) 2011-01-18 US disclosed
US-7868043-B2 Mesophasic forms of (3S)-aminomethyl-5-methyl-hexanoic acid prodrugs and methods of use XENOPORT, INC. (US) 2011-01-11 US disclosed
EP-2250148-A2 CRYSTALLINE FORM OF CALCIUM-SALTS OF (3S)-AMINOMETHYL-5-METHYL-HEXANOIC ACIDS AND METHODS OF USE XenoPort, Inc. (US) 2010-11-17 EP disclosed
US-20090215809-A1 CRYSTALLINE FORM OF A (3S)-AMINOMETHYL-5-METHYL-HEXANOIC ACID PRODRUG AND METHODS OF USE XENOPORT, INC. (US) 2009-08-27 US disclosed
WO-2009094577-A2 MESOPHASIC FORMS OF (3S)-AMINOMETHYL-5-METHYL-HEXANOIC ACID PRODRUGS AND METHODS OF USE XENOPORT, INC. (US) 2009-07-30 WO disclosed
WO-2009094563-A2 CRYSTALLINE FORM OF CALCIUM-SALTS OF (3S)-AMINOMETHYL-B-METHYL-HEXANOIC ACIDS AND METHODS OF USE XENOPORT, INC. (US) 2009-07-30 WO disclosed
US-20090192222-A1 MESOPHASIC FORMS OF (3S)-AMINOMETHYL-5-METHYL-HEXANOIC ACID PRODRUGS AND METHODS OF USE XENOPORT, INC. (US) 2009-07-30 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 (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-20110224295-A1 CRYSTALLINE FORM OF A (3S)-AMINOMETHYL-5-METHYL-HEXANOIC ACID PRODRUG AND METHODS OF USE HEXA, ADSL, CYP2S1 PTPN1 2392/4885
US-20090215809-A1 CRYSTALLINE FORM OF A (3S)-AMINOMETHYL-5-METHYL-HEXANOIC ACID PRODRUG AND METHODS OF USE HEXA, ADSL, CYP2S1 PTPN1 2392/4885
US-20090192222-A1 MESOPHASIC FORMS OF (3S)-AMINOMETHYL-5-METHYL-HEXANOIC ACID PRODRUGS AND METHODS OF USE SI, ACMSD, HMBS PTPN1 1899/4885

“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.