SCHEMBL8418334

SCHEMBL8418334

CCC(=O)NC(C(=O)OCc1ccccc1)c1c[nH]c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
GAA P10253 2/20 0.49
HTT P42858 1/20 0.49
TACR1 P25103 10/20 0.46
GPR84 Q9NQS5 1/20 0.46
LMNA P02545 1/20 0.46
CASP1 P29466 1/20 0.46
IL1RN P18510 1/20 0.45
ERAP2 Q6P179 1/20 0.45
ERAP1 Q9NZ08 1/20 0.45
NMBR P28336 2/20 0.45
MGAM O43451 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
LNPEP Q9UIQ6 1/20 0.45

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
SCHEMBL13528266 0.89 KMT2A (0.50) MAPTGAAGPR84LMNAMGAM
SCHEMBL8418335 0.84 GPR84 (0.54) MAPTGAAGPR84MGAMSI
SCHEMBL13528267 0.81 KMT2A (0.47) MAPTTACR1GPR84LMNA
SCHEMBL8418340 0.77 TACR1 (0.50) MAPTGAATACR1GPR84LMNA
SCHEMBL8415705 0.77 MMP2 (0.42) MAPTGAATACR1IL1RNERAP2
SCHEMBL8415721 0.77 MMP2 (0.42) MAPTGAATACR1IL1RNERAP2
SCHEMBL7255533 0.76 BMP1 (0.65) MAPTGAAHTTLMNACASP1
SCHEMBL3132441 0.76 CASP1 (0.58) MAPTGAAHTTTACR1LMNA
SCHEMBL18780136 0.75 CASP1 (0.51) MAPTGAAHTTTACR1LMNA
SCHEMBL8700867 0.74 NMBR (0.58) MAPTGAAHTTTACR1LMNA

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-7335726-B2 Lipopeptide stereoisomers, methods for preparing same and useful intermediates CUBIST PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed
US-20060223983-A1 Lipopeptide stereoisomers, methods for preparing same and useful intermediates CUBIST PHARMACEUTICALS, INC. 2006-10-05 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-20060223983-A1 Lipopeptide stereoisomers, methods for preparing same and useful intermediates NGLY1, LSS, NRDC MAPT 4809/4885GAA 1347/4885HTT 3692/4885

“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.