SCHEMBL4760337

SCHEMBL4760337

Cc1onc(-c2ccc(Cl)cc2)c1-c1ccn(C(=O)O)n1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GPBAR1 Q8TDU6 6/20 0.47
NPSR1 Q6W5P4 5/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 4/20 0.43
ALDH1A1 P00352 2/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
GABRA5 P31644 1/20 0.40

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
SCHEMBL1225810 0.88 POLB (0.46) POLBTDP1L3MBTL1GPBAR1NPSR1
SCHEMBL6004537 0.87 POLB (0.45) POLBTDP1L3MBTL1GPBAR1NPSR1
SCHEMBL6002757 0.84 ALDH1A1 (0.49) POLBTDP1L3MBTL1GPBAR1NPSR1
SCHEMBL6002721 0.84 GPBAR1 (0.47) POLBTDP1L3MBTL1GPBAR1NPSR1
SCHEMBL6004396 0.82 GABRA5 (0.45) POLBTDP1L3MBTL1GPBAR1NPSR1
SCHEMBL4721410 0.82 MAPT (0.42) POLBTDP1L3MBTL1GPBAR1NPSR1
SCHEMBL6004911 0.82 NPSR1 (0.43) POLBTDP1L3MBTL1GPBAR1NPSR1
SCHEMBL4717776 0.81 NPSR1 (0.43) POLBTDP1L3MBTL1GPBAR1NPSR1
SCHEMBL4818743 0.81 CNR1 (0.46) POLBTDP1L3MBTL1GPBAR1NPSR1
SCHEMBL4832493 0.80 CNR1 (0.47) GABRA5

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 POLB 1356/4885TDP1 583/4885L3MBTL1 1343/4885

“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.