SCHEMBL17077261

SCHEMBL17077261

CNC(=O)CCc1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n(-c2ccc(NC(=O)c3ccc(N)cc3)cc2)n1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ILK Q13418 1/20 0.64
PTGS1 P23219 4/20 0.49
EPHX2 P34913 5/20 0.48
PTGS2 P35354 5/20 0.48
AKR1C3 P42330 1/20 0.48
MCHR1 Q99705 2/20 0.45
ALOX5 P09917 2/20 0.45
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
MAPT P10636 5/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42

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
SCHEMBL15560693 0.92 ILK (0.74) ILKPTGS1EPHX2PTGS2AKR1C3
SCHEMBL17077279 0.91 ILK (0.66) ILKPTGS1EPHX2PTGS2AKR1C3
SCHEMBL17085051 0.91 ILK (0.51) ILKPTGS1EPHX2PTGS2ALOX5
SCHEMBL17077241 0.90 ILK (0.62) ILKPTGS1EPHX2PTGS2AKR1C3
SCHEMBL17077237 0.89 ILK (0.62) ILKPTGS1EPHX2PTGS2AKR1C3
SCHEMBL17077272 0.89 ILK (0.61) ILKPTGS1EPHX2PTGS2AKR1C3
SCHEMBL17077268 0.88 ILK (0.62) ILKPTGS1EPHX2PTGS2AKR1C3
SCHEMBL19839523 0.88 ILK (0.68) ILKPTGS1EPHX2PTGS2AKR1C3
SCHEMBL17077280 0.88 ILK (0.62) ILKPTGS1EPHX2PTGS2AKR1C3
SCHEMBL9105969 0.87 ILK (0.67) ILKPTGS1EPHX2PTGS2AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9457031-B2 Antibacterial protein kinase inhibitors OHIO STATE INNOVATION FOUNDATION 2016-10-04 US disclosed
US-9457031-B2 Antibacterial protein kinase inhibitors OHIO STATE INNOVATION FOUNDATION 2016-10-04 US disclosed
US-20150258100-A1 ANTIBACTERIAL PROTEIN KINASE INHIBITORS OHIO STATE INNOVATION FOUNDATION 2015-09-17 US disclosed
US-20150258100-A1 ANTIBACTERIAL PROTEIN KINASE INHIBITORS OHIO STATE INNOVATION FOUNDATION 2015-09-17 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-20150258100-A1 ANTIBACTERIAL PROTEIN KINASE INHIBITORS DMPK, MYLK3, MYLK2 ILK 1625/4885PTGS1 192/4885EPHX2 4552/4885

“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.