SCHEMBL2406040

SCHEMBL2406040

COc1ccc(C[C@](C)(NC(=O)OCc2ccccc2)C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.61
ITGA2B P08514 1/20 0.61
ATM Q13315 1/20 0.53
TACR1 P25103 1/20 0.52
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
ACHE P22303 1/20 0.48
CTSS P25774 3/20 0.47
MMP1 P03956 3/20 0.47
MMP13 P45452 2/20 0.47
MMP9 P14780 2/20 0.46
CTSL P07711 2/20 0.46
CTSK P43235 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
HDAC8 Q9BY41 1/20 0.45
MAPT P10636 1/20 0.44

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
SCHEMBL10655573 0.91 ITGB3 (0.60) ITGB3ITGA2BTACR1ALDH1A1MEN1
SCHEMBL28199355 0.91 ITGB3 (0.60) ITGB3ITGA2BTACR1ALDH1A1MEN1
SCHEMBL10654800 0.91 ITGB3 (0.60) ITGB3ITGA2BTACR1ALDH1A1MEN1
SCHEMBL2402469 0.88 ITGB3 (0.59) ITGB3ITGA2BTACR1ALDH1A1MEN1
SCHEMBL8101144 0.88 ITGB3 (0.59) ITGB3ITGA2BTACR1ALDH1A1MEN1
SCHEMBL11507944 0.88 ITGB3 (0.59) ITGB3ITGA2BATMTACR1MEN1
SCHEMBL7985057 0.85 ITGB3 (0.56) ITGB3ITGA2BTACR1MEN1KMT2A
SCHEMBL7970782 0.83 ITGB3 (0.59) ITGB3ITGA2BTACR1MEN1KMT2A
SCHEMBL7970779 0.83 ITGB3 (0.59) ITGB3ITGA2BTACR1MEN1KMT2A
SCHEMBL16447882 0.82 PPARG (0.49) ITGB3ITGA2BMEN1KMT2AMMP1

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 ITGB3 3440/4885ITGA2B 2469/4885ATM 4169/4885

“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.