SCHEMBL4449939

SCHEMBL4449939

O=C(O)C[C@H](O)c1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 2/20 0.47
MMP13 P45452 2/20 0.47
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NAPRT Q6XQN6 1/20 0.41
GRM8 O00222 1/20 0.41
GRM4 Q14833 1/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
BCHE P06276 1/20 0.39
CYP3A4 P08684 2/20 0.38
PLOD2 O00469 1/20 0.38
PLOD3 O60568 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL3526103 1.00 MMP12 (0.47) MMP12MMP13KDM4EHSD17B10NAPRT
SCHEMBL354141 0.82 CYP3A4 (0.38) MMP12MMP13KDM4EHSD17B10GRM8
SCHEMBL5355666 0.82 L3MBTL1 (0.46) MMP12MMP13KDM4EHSD17B10NAPRT
SCHEMBL904490 0.80 GABBR2 (0.55) KDM4ECYP2D6CYP2C19GABBR2GABBR1
SCHEMBL904476 0.80 GABBR2 (0.55) KDM4ECYP2D6CYP2C19GABBR2GABBR1
SCHEMBL186610 0.80 GABBR2 (0.55) KDM4ECYP2D6CYP2C19GABBR2GABBR1
SCHEMBL6495705 0.80 BCHE (0.44) MMP12MMP13KDM4EHSD17B10NAPRT
Hydrochloric Acid SCHEMBL1373206 0.78 GABBR2 (0.53) KDM4ECYP2D6CYP2C19GABBR2GABBR1
Hydrochloric Acid SCHEMBL1374836 0.78 GABBR2 (0.53) KDM4ECYP2D6CYP2C19GABBR2GABBR1
Ammonia Solution, Strong SCHEMBL2341560 0.78 GABBR2 (0.53) KDM4ECYP2D6CYP2C19GABBR2GABBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1405917-B1 Process for the production of 3-Heteroaryl-3-hydroxy-propionic acid derivatives by enantioselective microbial reduction SALTIGO GMBH (DE) 2013-08-14 EP claimed
US-7553970-B2 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2009-06-30 US disclosed
US-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2004-09-16 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 (1 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-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives HPD, HAAO, GRHPR MMP12 3414/4885MMP13 1159/4885KDM4E 2493/4885

“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.