SCHEMBL2402306

SCHEMBL2402306

CCCc1ccc(-c2ccc(C(=O)NCCC(=O)O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.56
PLK1 P53350 1/20 0.55
TMEM97 Q5BJF2 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
GCGR P47871 2/20 0.51
POLB P06746 2/20 0.50
CTDSP1 Q9GZU7 2/20 0.50
MCHR1 Q99705 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
EPHX2 P34913 1/20 0.50
NR1H4 Q96RI1 1/20 0.50

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
SCHEMBL3195210 0.95 L3MBTL1 (0.61) HRH3L3MBTL1PLK1TMEM97SIGMAR1
SCHEMBL7741009 0.92 MAPK1 (0.59) HRH3L3MBTL1PLK1TMEM97SIGMAR1
SCHEMBL15723432 0.92 RARB (0.61) HRH3PLK1TMEM97SIGMAR1DRD2
SCHEMBL2402293 0.86 PLK1 (0.53) HRH3PLK1TMEM97SIGMAR1DRD2
SCHEMBL13418360 0.85 S1PR1 (0.65) L3MBTL1PLK1TMEM97SIGMAR1GCGR
SCHEMBL3199550 0.83 GCGR (0.58) HRH3L3MBTL1PLK1CA1CA2
SCHEMBL10950404 0.82 PLK1 (0.68) PLK1TMEM97SIGMAR1CA1CA2
SCHEMBL7740315 0.82 S1PR1 (0.62) L3MBTL1TMEM97SIGMAR1DRD2DRD4
SCHEMBL2654170 0.82 NPC1 (0.64) GCGRMEN1KMT2ANPC1RAB9A
SCHEMBL7740874 0.81 HDAC1 (0.62) TMEM97SIGMAR1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130244929-A1 BRIDGED LIPOGLYCOPEPTIDES THAT POTENTIATE THE ACTIVITY OF BETA-LACTAM ANTIBACTERIALS MERCK SHARP & DOHME CORP. 2013-09-19 US disclosed
WO-2011112441-A1 BRIDGED LIPOGLYCOPEPTIDES THAT POTENTIATE THE ACTIVITY OF BETA-LACTAM ANTIBACTERIALS MERCK SHARP & DOHME CORP. (US) 2011-09-15 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 (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-20130244929-A1 BRIDGED LIPOGLYCOPEPTIDES THAT POTENTIATE THE ACTIVITY OF BETA-LACTAM ANTIBACTERIALS SPPL2B, ENGASE, PEPD HRH3 4276/4885L3MBTL1 1406/4885PLK1 1765/4885

“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.