SCHEMBL2317826

SCHEMBL2317826

O=C(O)c1cc(O)n(C2CCCCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.43
KMO O15229 1/20 0.41
HSD17B10 Q99714 2/20 0.38
GAA P10253 1/20 0.38
HCAR2 Q8TDS4 2/20 0.38
CFTR P13569 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL2323117 0.98 HCAR3 (0.42) HCAR3KMOHSD17B10GAAHCAR2
SCHEMBL22396452 0.91 HCAR3 (0.40) HCAR3HCAR2CFTRESR1POLB
SCHEMBL24208422 0.82 HCAR3 (0.43) HCAR3KMOHSD17B10CFTRL3MBTL1
SCHEMBL27847371 0.81 HCAR3 (0.42) HCAR3KMOHSD17B10GAAHCAR2
SCHEMBL18939556 0.80 HCAR3 (0.41) HCAR3KMOHSD17B10GAAHCAR2
SCHEMBL26643742 0.80 HCAR3 (0.41) HCAR3KMOHSD17B10GAAHCAR2
SCHEMBL18939308 0.76 KMT2A (0.46) KMT2ASMN1; SMN2POLBALDH1A1PDE7A
SCHEMBL18939425 0.75 RPA1 (0.54) L3MBTL1KDM4EHTTKMT2ACNR1
SCHEMBL6525498 0.74 KDM4E (0.46) HSD17B10KDM4EESR1ALDH1A1
SCHEMBL925299 0.73 SMN1; SMN2 (0.44) HCAR3KMOHSD17B10GAAHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102884052-B O-substituted 3-heteroaroylamino-propionic acid derivatives and their pharmaceutical use SAI NUOFEI (FR) 2015-10-21 CN disclosed
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
CN-102884052-A O-substituted 3-heteroaroylamino-propionic acid derivatives and their pharmaceutical use SANOFI SA 2013-01-16 CN 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

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 HCAR3 376/4885KMO 1187/4885HSD17B10 255/4885
US-20140128616-A1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CTSF, CTSS, CTSE HCAR3 376/4885KMO 1187/4885HSD17B10 255/4885

“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.