SCHEMBL2403600

SCHEMBL2403600

CCCCCCCCCCc1ccc2cc(C(=O)O)ccc2c1

nearest known ligand 0.97

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.67
▸ GRIN2A Q12879 1/20 0.67
▸ GRIN2B Q13224 1/20 0.67
▸ GRIN2C Q14957 1/20 0.67
▸ RARB P10826 8/20 0.65
▸ MEN1 O00255 1/20 0.65
▸ ALDH1A1 P00352 1/20 0.65
▸ RARA P10276 1/20 0.65
▸ MAPT P10636 1/20 0.65
▸ MTOR P42345 1/20 0.65
▸ KMT2A Q03164 1/20 0.65
▸ KAT8 Q9H7Z6 2/20 0.57
▸ PPARA Q07869 1/20 0.57
▸ TP53 P04637 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ PLA2G4A P47712 2/20 0.54

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
SCHEMBL8303752 1.00 GRIN2D (0.67) GRIN2DGRIN2AGRIN2BGRIN2CRARB
SCHEMBL7342564 1.00 GRIN2D (0.67) GRIN2DGRIN2AGRIN2BGRIN2CRARB
SCHEMBL7331987 1.00 GRIN2D (0.67) GRIN2DGRIN2AGRIN2BGRIN2CRARB
Hydrochloric Acid SCHEMBL10716592 0.98 GRIN2D (0.65) GRIN2DGRIN2AGRIN2BGRIN2CRARB
SCHEMBL10081274 0.98 GRIN2D (0.68) GRIN2DGRIN2AGRIN2BGRIN2CRARB
SCHEMBL11071411 0.94 GRIN2D (0.70) GRIN2DGRIN2AGRIN2BGRIN2CRARB
SCHEMBL17592174 0.87 GRIN2D (0.65) GRIN2DGRIN2AGRIN2BGRIN2CRARB
SCHEMBL8152604 0.86 THRA (0.55) GRIN2DGRIN2AGRIN2BGRIN2CRARB
SCHEMBL10600377 0.86 THRA (0.55) GRIN2DGRIN2AGRIN2BGRIN2CRARB
SCHEMBL18917571 0.86 GRIN2D (0.64) GRIN2DGRIN2AGRIN2BGRIN2CRARB

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 5 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
CN-102939095-A Bridged lipoglycopeptides that potentiate the activity of beta-lactam antibacterials MERCK SHARP & DOHME 2013-02-20 — — CN disclosed
EP-2544702-A1 BRIDGED LIPOGLYCOPEPTIDES THAT POTENTIATE THE ACTIVITY OF BETA-LACTAM ANTIBACTERIALS Merck Sharp & Dohme Corp. (US) 2013-01-16 — — EP disclosed
WO-2011112441-A1 BRIDGED LIPOGLYCOPEPTIDES THAT POTENTIATE THE ACTIVITY OF BETA-LACTAM ANTIBACTERIALS MERCK SHARP & DOHME CORP. (US) 2011-09-15 — — WO disclosed
US-5356561-A Carboxylate compounds, liquid crystal compositions and liquid crystal elements containing said compounds and method of optical modulation using said elements MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-10-18 — — 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-20130244929-A1 BRIDGED LIPOGLYCOPEPTIDES THAT POTENTIATE THE ACTIVITY OF BETA-LACTAM ANTIBACTERIALS SPPL2B, ENGASE, PEPD GRIN2D 3767/4885GRIN2A 3504/4885GRIN2B 1536/4885

“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.

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