SCHEMBL8418335

SCHEMBL8418335

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.54
FFAR1 O14842 1/20 0.51
MGAM O43451 5/20 0.50
GAA P10253 5/20 0.50
SI P14410 5/20 0.50
MGAM2 Q2M2H8 5/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
PKM P14618 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49

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 0.87 KMT2A (0.50) GPR84FFAR1MGAMGAASI
SCHEMBL15290787 0.86 MAPT (0.50) GPR84FFAR1MGAMGAASI
SCHEMBL13247995 0.86 HDAC3 (0.49) GPR84FFAR1MGAMGAASI
SCHEMBL8418334 0.84 MAPT (0.49) GPR84MGAMGAASIMGAM2
SCHEMBL15290795 0.83 HDAC3 (0.49) GPR84FFAR1MGAMGAASI
SCHEMBL8418352 0.83 ACE (0.46) GPR84MGAMGAASIMGAM2
SCHEMBL8415706 0.83 ACE (0.46) GPR84MGAMGAASIMGAM2
SCHEMBL9947471 0.78 GPR84 (0.54) GPR84FFAR1MGAMGAASI
SCHEMBL30873796 0.78 CTSL (0.53) GAAMAPTMEN1KMT2APKM
SCHEMBL11636711 0.78 CTSL (0.53) GAAMAPTMEN1KMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546356-B2 Administration form of osteogenic protein complexes ADOCIA (FR) 2013-10-01 US disclosed
US-8497253-B2 2013-07-30 US disclosed
US-8497253-B2 2013-07-30 US disclosed
US-20100166867-A1 Novel administration form of osteogenic protein complexes ADOCIA (FR) 2010-07-01 US disclosed
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 (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-20100166867-A1 Novel administration form of osteogenic protein complexes BMP2, SOST, SDF4 GPR84 3197/4885FFAR1 4553/4885MGAM 1442/4885
US-20060223983-A1 Lipopeptide stereoisomers, methods for preparing same and useful intermediates NGLY1, LSS, NRDC GPR84 2720/4885FFAR1 839/4885MGAM 2285/4885

“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.