SCHEMBL6079387

SCHEMBL6079387

CCc1c(C(=O)O)nn(C)c1C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.38
KDM4E B2RXH2 4/20 0.37
GRM5 P41594 1/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TTR P02766 1/20 0.35
NPC1 O15118 2/20 0.34
USP2 O75604 1/20 0.34
ALPL P05186 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 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
SCHEMBL31467462 0.84 ALDH1A1 (0.41) KDM4EALDH1A1SMN1; SMN2NPC1USP2
SCHEMBL23753197 0.81 HCAR2 (0.34) HCAR2KDM4EGRM5ALDH1A1NPC1
SCHEMBL28882539 0.79 GAA (0.39) HCAR2KDM4EGRM5ALDH1A1GAA
SCHEMBL4594309 0.75 ALDH1A1 (0.40) HCAR2KDM4EALDH1A1GAAPOLB
SCHEMBL31467465 0.74 HCAR2 (0.43) HCAR2KDM4EGRM5ALDH1A1GAA
SCHEMBL8308094 0.74 POLB (0.59) HCAR2KDM4EALDH1A1GAAPOLB
SCHEMBL22437040 0.73 GRM5 (0.60) KDM4EGRM5ALDH1A1POLBSMN1; SMN2
SCHEMBL7698240 0.73 USP2 (0.45) KDM4EALDH1A1GAASMN1; SMN2NPC1
SCHEMBL16268552 0.72 GAA (0.38) KDM4EALDH1A1GAAPOLBSMN1; SMN2
SCHEMBL16797981 0.72 GAA (0.39) KDM4EALDH1A1GAAPOLBSMN1; SMN2

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
US-7045619-B2 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2006-05-16 US disclosed
US-20030166923-A1 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C. 2003-09-04 US disclosed
EP-0725783-B1 2-(PYRAZOL-3-YL)CARBAPENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2002-12-18 EP disclosed
US-20020147333-A1 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C. 2002-10-10 US disclosed
US-5612477-A 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C 1997-03-18 US disclosed
US-5606051-A 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C. (GB) 1997-02-25 US disclosed
EP-0725783-A1 2-(PYRAZOL-3-YL)CARBAPENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1996-08-14 EP disclosed
WO-1995011905-A1 2-(PYRAZOL-3-YL)CARBAPENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1995-05-04 WO disclosed
US-4792565-A Pyrazolecarbonylamine derivatives and agricultural and horticultural fungicides containing said compounds MITSUI TOATSU CHEMICALS, INC. (JP) 1988-12-20 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-20020147333-A1 2-(pyrazol-3-yl)carbapenem derivatives DPEP1, DHPS, JMJD6 HCAR2 297/4885KDM4E 154/4885GRM5 4360/4885
US-20030166923-A1 2-(pyrazol-3-yl)carbapenem derivatives DHPS, DPEP1, JMJD6 HCAR2 304/4885KDM4E 149/4885GRM5 4510/4885

“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.