SCHEMBL4722402

SCHEMBL4722402

COCc1onc(-c2ccc(Cl)cc2)c1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.41
GPBAR1 Q8TDU6 3/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2E1 P05181 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP4B1 P13584 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP3A5 P20815 1/20 0.39
CYP2A7 P20853 1/20 0.39
CYP3A7 P24462 1/20 0.39
CYP2F1 P24903 1/20 0.39
CYP2C18 P33260 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP2J2 P51589 1/20 0.39
CYP4F2 P78329 1/20 0.39

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
SCHEMBL4720867 0.81 FFAR4 (0.42) FFAR4GPBAR1CYP1A1CYP1A2CYP2E1
SCHEMBL4761148 0.80 FFAR4 (0.44) FFAR4GPBAR1CYP1A2CYP3A4GABRA5
SCHEMBL4791287 0.77 FFAR4 (0.47) FFAR4GPBAR1CYP1A1CYP1A2CYP2E1
SCHEMBL4720864 0.77 LMNA (0.46) FFAR4GPBAR1CYP1A1CYP1A2CYP2E1
SCHEMBL4721188 0.76 LMNA (0.51) FFAR4GPBAR1CYP1A1CYP1A2CYP2E1
SCHEMBL18003205 0.69 TARBP2 (0.44) NPSR1SMN1; SMN2ALDH1A1
SCHEMBL13285212 0.68 PTGS1 (0.46) PTGS2PTGS1PDE3AMAPTTSHR
SCHEMBL4971629 0.67 PTGS1 (0.43) GABRA5NPSR1PTGS2PTGS1ALDH1A1
SCHEMBL9535705 0.66 GPBAR1 (0.48) FFAR4GPBAR1CYP1A1CYP1A2CYP2E1
SCHEMBL4974080 0.65 LMNA (0.38) GABRA5PTGS2PTGS1PDE3A

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
EP-1871770-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS Kalypsys, Inc. (US) 2008-01-02 EP disclosed
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 US disclosed
WO-2006116355-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS KALYPSYS, INC. (US) 2006-11-02 WO 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-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders MAPK1, MAP3K1, MAPK4 FFAR4 3706/4885GPBAR1 2708/4885CYP1A1 4497/4885

“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.