SCHEMBL4239668

SCHEMBL4239668

CCc1ccc(-c2ccc(C(=O)NC(CCC(=O)NO)C(=O)O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
CA2 P00918 6/20 0.49
CA1 P00915 3/20 0.49
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
TAOK1 Q7L7X3 2/20 0.47
TAOK3 Q9H2K8 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ADAMTS5 Q9UNA0 2/20 0.47
MMP2 P08253 1/20 0.47
MMP8 P22894 1/20 0.47
MMP12 P39900 1/20 0.47
ADAMTS4 O75173 1/20 0.46
FOLH1 Q04609 5/20 0.46
DHFR P00374 1/20 0.45
TYMS P04818 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
SCHEMBL2249692 0.86 CA2 (0.62) TAS1R3TAS1R1CA2CA1CA12
SCHEMBL403968 0.85 ADAMTS5 (0.58) TAS1R3TAS1R1CA2CA1CA12
SCHEMBL7740201 0.83 CA2 (0.54) CA2CA1CA12CA9FOLH1
SCHEMBL7740198 0.83 CA2 (0.54) CA2CA1CA12CA9FOLH1
SCHEMBL2249688 0.81 MMP12 (0.61) TAS1R3TAS1R1CA2CA1CA12
SCHEMBL3995785 0.79 PTPN1 (0.65) CA2CA1CA12CA9L3MBTL1
SCHEMBL1096615 0.79 TAS1R3 (0.49) TAS1R3TAS1R1CA2CA1TAOK1
SCHEMBL2252322 0.78 CA2 (0.66) CA2CA1CA12CA9NPC1
SCHEMBL8237305 0.78 CA2 (0.66) CA2CA1CA12CA9NPC1
SCHEMBL403032 0.78 TAS1R3 (0.50) TAS1R3TAS1R1CA2CA1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 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-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS TAS1R3 4169/4885TAS1R1 3477/4885CA2 3457/4885

“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.