SCHEMBL2677485

SCHEMBL2677485

CC(=O)Oc1ccccc1C(=O)O[C@H](C)[C@H](N)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.56
KDM4E B2RXH2 4/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
PTGS2 P35354 5/20 0.54
HPGD P15428 4/20 0.54
ALDH1A1 P00352 1/20 0.54
ESR1 P03372 1/20 0.54
ITGB3 P05106 1/20 0.54
ITGA2B P08514 1/20 0.54
HMGB1 P09429 1/20 0.54
TSHR P16473 1/20 0.54
GGT1 P19440 1/20 0.54
PTGS1 P23219 1/20 0.54
BLM P54132 1/20 0.54
NAPRT Q6XQN6 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL4380299 0.84 HSD17B10 (0.59) HSD17B10KDM4ELMNACYP1A2CYP2C9
Aspirin SCHEMBL3731927 0.82 KDM4E (0.70) HSD17B10KDM4ELMNACYP1A2CYP2C9
SCHEMBL3667204 0.81 HSD17B10 (0.65) HSD17B10KDM4ELMNACYP1A2CYP2C9
SCHEMBL1868204 0.81 KDM4E (0.63) HSD17B10KDM4ELMNACYP1A2CYP2C9
SCHEMBL8647889 0.80 LMNA (0.50) HSD17B10KDM4ELMNAHPGDALDH1A1
SCHEMBL2780216 0.78 HSD17B10 (0.59) HSD17B10KDM4ELMNACYP1A2CYP2C9
SCHEMBL7606600 0.78 HSD17B10 (0.59) HSD17B10KDM4ELMNACYP1A2CYP2C9
SCHEMBL11019069 0.78 HSD17B10 (0.59) HSD17B10KDM4ELMNACYP1A2CYP2C9
SCHEMBL1821600 0.78 HSD17B10 (0.59) HSD17B10KDM4ELMNACYP1A2CYP2C9
SCHEMBL13725644 0.78 PTGS2 (0.53) HSD17B10KDM4ELMNACYP1A2CYP2C9

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563776-B2 L-Threonine derivatives of high therapeutic index SIGNATURE R&D HOLDINGS, LLC (US) 2013-10-22 US disclosed
US-8563776-B2 L-Threonine derivatives of high therapeutic index SIGNATURE R&D HOLDINGS, LLC (US) 2013-10-22 US disclosed
US-8563776-B2 L-Threonine derivatives of high therapeutic index SIGNATURE R&D HOLDINGS, LLC (US) 2013-10-22 US disclosed
US-20120289471-A1 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX SIGNATURE R&D HOLDINGS, LLC (US) 2012-11-15 US disclosed
US-20120289471-A1 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX SIGNATURE R&D HOLDINGS, LLC (US) 2012-11-15 US disclosed
US-20120289471-A1 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX SIGNATURE R&D HOLDINGS, LLC (US) 2012-11-15 US disclosed
US-8188311-B2 L-threonine derivatives of high therapeutic index SIGNATURE R&D HOLDINGS, LLC (US) 2012-05-29 US disclosed
US-8188311-B2 L-threonine derivatives of high therapeutic index SIGNATURE R&D HOLDINGS, LLC (US) 2012-05-29 US disclosed
US-8188311-B2 L-threonine derivatives of high therapeutic index SIGNATURE R&D HOLDINGS, LLC (US) 2012-05-29 US disclosed
US-8173840-B2 Compounds with high therapeutic index SIGNATURE R&D HOLDINGS, LLC (US) 2012-05-08 US disclosed
US-20100004481-A1 L-THREONINE DERIVATIVES OF HIGH THERAPEUTIC INDEX SIGNATURE R&D HOLDINGS (US) 2010-01-07 US disclosed
US-20100004481-A1 L-THREONINE DERIVATIVES OF HIGH THERAPEUTIC INDEX SIGNATURE R&D HOLDINGS (US) 2010-01-07 US disclosed
US-20100004481-A1 L-THREONINE DERIVATIVES OF HIGH THERAPEUTIC INDEX SIGNATURE R&D HOLDINGS (US) 2010-01-07 US disclosed
US-7589233-B2 L-Threonine derivatives of high therapeutic index SIGNATURE R&D HOLDINGS, LLC (US) 2009-09-15 US disclosed
US-7589233-B2 L-Threonine derivatives of high therapeutic index SIGNATURE R&D HOLDINGS, LLC (US) 2009-09-15 US disclosed
US-7589233-B2 L-Threonine derivatives of high therapeutic index SIGNATURE R&D HOLDINGS, LLC (US) 2009-09-15 US disclosed
WO-2007089745-A2 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX SIGNATURE R & D HOLDINGS, LLC (US) 2007-08-09 WO disclosed
WO-2007089745-A2 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX SIGNATURE R & D HOLDINGS, LLC (US) 2007-08-09 WO disclosed
US-20060287244-A1 L-Threonine derivatives of high therapeutic index SIGNATURE R&D HOLDINGS, LLC 2006-12-21 US disclosed
US-20060241017-A1 Novel compounds with high therapeutic index SIGNATURE R&D HOLDINGS, LLC 2006-10-26 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 (4 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-20100004481-A1 L-THREONINE DERIVATIVES OF HIGH THERAPEUTIC INDEX BCAT1, AADAT, TPI1 HSD17B10 921/4885KDM4E 1929/4885LMNA 3998/4885
US-20060287244-A1 L-Threonine derivatives of high therapeutic index BCAT1, AADAT, TPI1 HSD17B10 921/4885KDM4E 1929/4885LMNA 3998/4885
US-20120289471-A1 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX IL4I1, SLC7A1, GOT1 HSD17B10 203/4885KDM4E 2627/4885LMNA 4367/4885
US-20060241017-A1 Novel compounds with high therapeutic index IL4I1, SLC7A1, GOT1 HSD17B10 203/4885KDM4E 2627/4885LMNA 4367/4885

“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.