SCHEMBL2322010

SCHEMBL2322010

CC(C)(C)n1nc(C(=O)O)cc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HCAR3 P49019 2/20 0.38
HCAR2 Q8TDS4 3/20 0.37
DAO P14920 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GRN P28799 1/20 0.37
SORT1 Q99523 1/20 0.37
POLB P06746 3/20 0.36
PKM P14618 1/20 0.36
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
ATM Q13315 1/20 0.35
ESR1 P03372 1/20 0.35
RPA1 P27694 1/20 0.34
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
GAA P10253 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
SCHEMBL574266 0.81 NPC1 (0.60) ALDH1A1NPC1RAB9AHCAR3HCAR2
SCHEMBL12321735 0.78 ALDH1A1 (0.41) ALDH1A1NPC1RAB9AHCAR3HCAR2
SCHEMBL2321521 0.78 ALDH1A1 (0.41) ALDH1A1NPC1RAB9AHCAR3HCAR2
SCHEMBL950878 0.77 ALDH1A1 (0.46) ALDH1A1NPC1RAB9AKDM4EPOLB
SCHEMBL12321704 0.77 ALDH1A1 (0.40) ALDH1A1NPC1RAB9AHCAR3HCAR2
SCHEMBL4011177 0.74 RPA1 (0.58) ALDH1A1NPC1RAB9AKDM4ERPA1
SCHEMBL12321739 0.74 HCAR2 (0.41) ALDH1A1NPC1RAB9AHCAR3HCAR2
SCHEMBL12321714 0.74 PLAT (0.40) ALDH1A1NPC1RAB9AHCAR3HCAR2
SCHEMBL2152111 0.74 HCAR2 (0.41) ALDH1A1HCAR3HCAR2DAOKDM4E
SCHEMBL18358740 0.72 RPA1 (0.44) ALDH1A1NPC1RAB9AKDM4ERPA1

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
EP-2826772-A1 Intermediates for the synthesis of oxygen-substituted 3-heteroaroylamino-propionic acid derivatives SANOFI (FR) 2015-01-21 EP disclosed
EP-2528902-B1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2014-11-12 EP disclosed
US-20140128616-A1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-05-08 US disclosed
US-8664257-B2 Oxygen-substituted 3-heteroaroylamino-propionic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2014-03-04 US disclosed
US-20130046004-A1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-02-21 US disclosed
EP-2528902-A1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2012-12-05 EP disclosed
WO-2011092187-A1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2011-08-04 WO disclosed
US-7704310-B2 Trisazo-dyes with a pyrazolyl end group and their use in ink-jet printing FUJIFILM IMAGING COLORANTS LIMITED (GB) 2010-04-27 US disclosed
US-7704310-B2 Trisazo-dyes with a pyrazolyl end group and their use in ink-jet printing FUJIFILM IMAGING COLORANTS LIMITED (GB) 2010-04-27 US disclosed
US-20100015411-A1 Trisazo-dyes with a Pyrazolyl End Group and Their Use in Ink-jet Printing FUJIFILM IMAGING COLORANTS LIMITED (GB) 2010-01-21 US disclosed
US-20100015411-A1 Trisazo-dyes with a Pyrazolyl End Group and Their Use in Ink-jet Printing FUJIFILM IMAGING COLORANTS LIMITED (GB) 2010-01-21 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-20130046004-A1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CTSF, CTSS, CTSE ALDH1A1 581/4885NPC1 1157/4885RAB9A 633/4885
US-20140128616-A1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CTSF, CTSS, CTSE ALDH1A1 581/4885NPC1 1157/4885RAB9A 633/4885

“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.