SCHEMBL13282954

SCHEMBL13282954

C=C(CCCNC(=O)C(C)(C)N)c1ccc(-c2cccc(CNC(=O)NCC)c2)c(O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPID Q08752 1/20 0.38
EGFR P00533 1/20 0.37
F3 P13726 2/20 0.37
PADI1 Q9ULC6 1/20 0.34
PADI3 Q9ULW8 1/20 0.34
AOC3 Q16853 3/20 0.34
SELP P16109 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
FOLH1 Q04609 1/20 0.33
HPGDS O60760 1/20 0.33
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
ADRB3 P13945 2/20 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
SCHEMBL13454421 0.93 POLB (0.38) PPIDEGFRF3PADI1PADI3
SCHEMBL13282896 0.83 ROCK2 (0.45) ROCK2ROCK1
SCHEMBL3194373 0.83 CNR1 (0.46) PPIDEGFRF3
Hydrochloric Acid SCHEMBL3190245 0.82 CNR1 (0.46) PPIDEGFRF3
SCHEMBL13454080 0.81 PTAFR (0.45) F3ROCK2ROCK1
SCHEMBL13453829 0.78 ALDH1A1 (0.38) AOC3ROCK2HSP90AA1HSP90AB1
SCHEMBL3189086 0.75 CNR1 (0.45) PPIDF3
SCHEMBL3188652 0.72 CNR1 (0.45) PPIDEGFRPADI1PADI3
SCHEMBL3188668 0.72 CNR1 (0.50) PPID
SCHEMBL3187206 0.70 CNR1 (0.61)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168108-A1 PHENYL DERIVATIVES AND METHODS OF USE ADOLOR CORPORATION (US) 2010-07-01 US disclosed
US-7671052-B2 Phenyl derivatives and methods of use ADOLOR CORPORATION (US) 2010-03-02 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-20100168108-A1 PHENYL DERIVATIVES AND METHODS OF USE CNR2, CNR1, GPR119 PPID 473/4885EGFR 2460/4885F3 4453/4885

“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.