SCHEMBL17472575

SCHEMBL17472575

CCOc1cccc(-c2ccc(CC(N)(c3cccc(CC(C)(C)OC(=O)NCC(=O)O)n3)S(=O)(=O)c3ccccc3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 8/20 0.51
SLC13A5 Q86YT5 1/20 0.39
CTPS1 P17812 2/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
MMP2 P08253 1/20 0.37
FFAR1 O14842 1/20 0.36
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35

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
SCHEMBL3458702 0.85 PTGER2 (0.46) PTGER2
SCHEMBL17472561 0.83 PTGER2 (0.65) PTGER2SLC13A5RXRARXRB
SCHEMBL3459169 0.77 PTGER2 (0.41) PTGER2
SCHEMBL28054731 0.77 PTGER2 (0.45) PTGER2SLC13A5CTPS1RXRARXRB
SCHEMBL17472578 0.77 PTGER2 (0.46) PTGER2SLC13A5CTPS1RXRARXRB
SCHEMBL17940643 0.76 PTGER2 (0.54) PTGER2SLC13A5CTPS1RXRARXRB
SCHEMBL17472563 0.76 PTGER2 (0.65) PTGER2
SCHEMBL17472672 0.76 PTGER2 (0.68) PTGER2
SCHEMBL17472577 0.76 PTGER2 (0.45) PTGER2SLC13A5CTPS1RXRARXRB
SCHEMBL17472595 0.74 PTGER2 (0.66) PTGER2SLC13A5CTPS1RXRARXRB

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-9676720-B2 Substituted biaryl compound UBE INDUSTRIES, LTD. (JP) 2017-06-13 US disclosed
US-20160060221-A1 SUBSTITUTED BIARYL COMPOUND UBE INDUSTRIES, LTD. (JP) 2016-03-03 US disclosed
EP-2980075-A1 SUBSTITUTED BIARYL COMPOUND UBE Industries, Ltd. (JP) 2016-02-03 EP 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-20160060221-A1 SUBSTITUTED BIARYL COMPOUND FIBP, FGF2, FGFR2 PTGER2 2670/4885SLC13A5 1176/4885CTPS1 1557/4885

“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.