SCHEMBL8367404

SCHEMBL8367404

CCC(CC)NC(=O)NC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP8 P22894 1/20 0.48
CA9 Q16790 1/20 0.48
PKM P14618 3/20 0.43
POLB P06746 2/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.39
LMNA P02545 3/20 0.38
TAS1R3 Q7RTX0 3/20 0.38
TAS1R1 Q7RTX1 3/20 0.38
TDP1 Q9NUW8 2/20 0.37
TAS1R2 Q8TE23 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
CYP1A2 P05177 1/20 0.34
CNR1 P21554 1/20 0.33
ADRA1A P35348 1/20 0.33

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
SCHEMBL8366815 0.86 TAS1R3 (0.44) CA12CA1CA2MMP1MMP2
SCHEMBL2821774 0.86 CA12 (0.54) CA12CA1CA2MMP1MMP2
SCHEMBL25729370 0.83 CA2 (0.41) CA1CA2MMP1MMP2MAPK1
SCHEMBL13316545 0.83 TAS1R3 (0.45) CA12CA1CA2MMP1MMP2
SCHEMBL12120411 0.80 CA12 (0.45) CA12CA1CA2MMP1MMP2
SCHEMBL13895348 0.80 CA12 (0.33) CA12CA1CA2MMP1MMP2
SCHEMBL15612694 0.79 LMNA (0.36) MAPK1LMNATDP1CNR1ADRA1A
SCHEMBL13446616 0.79 MMP1 (0.33) CA12CA1CA2MMP1MMP2
SCHEMBL27451481 0.78 KDM4C (0.36) CA12CA1CA2MMP1MMP2
SCHEMBL606969 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504407-B2 Compounds specific to adenosine A1 and A3 receptors and uses thereof OSI PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2008-03-20 US disclosed
US-6680324-B2 4-AMINO-6-PHENYL-PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2004-01-20 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-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 CA12 3938/4885CA1 2950/4885CA2 2551/4885

“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.