SCHEMBL3401588

SCHEMBL3401588

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

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.32
MAPT P10636 1/20 0.30
PTPN2 P17706 1/20 0.30
CDC25B P30305 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
SCHEMBL978332 1.00 PTPN1 (0.32) PTPN1MAPTPTPN2CDC25B
Water SCHEMBL979696 0.99 PTPN1 (0.31) PTPN1
Water SCHEMBL4434601 0.99 PTPN1 (0.31) PTPN1
SCHEMBL4300408 0.87 PTPN1 (0.31) PTPN1
SCHEMBL976693 0.87 PTPN1 (0.31) PTPN1
SCHEMBL30122153 0.82 PTPN1 (0.32) PTPN1MAPTPTPN2CDC25B
Water SCHEMBL980662 0.81 HRH3 (0.38) PTPN1PTPN2CDC25B
SCHEMBL977047 0.79 LMNA (0.38)
SCHEMBL4300391 0.79 LMNA (0.38)
SCHEMBL17975545 0.78 PTPN1 (0.32) PTPN1PTPN2CDC25B

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
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
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 (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-20090215809-A1 CRYSTALLINE FORM OF A (3S)-AMINOMETHYL-5-METHYL-HEXANOIC ACID PRODRUG AND METHODS OF USE HEXA, ADSL, CYP2S1 PTPN1 2392/4885MAPT 2224/4885PTPN2 3226/4885
US-20090192222-A1 MESOPHASIC FORMS OF (3S)-AMINOMETHYL-5-METHYL-HEXANOIC ACID PRODRUGS AND METHODS OF USE SI, ACMSD, HMBS PTPN1 1899/4885MAPT 3636/4885PTPN2 2408/4885

“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.