SCHEMBL4789971

SCHEMBL4789971

CCCC[Sn](CCCC)(CCCC)c1c(-c2ccc(F)cc2)noc1C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
TP53 P04637 2/20 0.43
THRB P10828 1/20 0.42
MMP13 P45452 1/20 0.42
GPR119 Q8TDV5 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ENPP2 Q13822 1/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
PTK2 Q05397 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
SCHEMBL4723642 0.81 POLB (0.46) POLBTP53THRBMMP13GPR119
SCHEMBL4721165 0.74 ALDH1A1 (0.42) POLBTP53THRBMMP13GPR119
SCHEMBL4718956 0.73 HPGD (0.41) POLBTP53MMP13GPR119SMN1; SMN2
SCHEMBL4760676 0.73 ENPP2 (0.42) POLBTP53MMP13GPR119SMN1; SMN2
SCHEMBL30730621 0.72 GPR119 (0.53) POLBGPR119SMN1; SMN2ENPP2
SCHEMBL6005113 0.71 TACR3 (0.39) POLBMMP13GPR119ENPP2
SCHEMBL4420449 0.71 LMNA (0.61) POLBGPR119SMN1; SMN2LMNAMAPT
SCHEMBL4721539 0.71 JAK2 (0.42) POLBTP53THRBMMP13GPR119
SCHEMBL31640157 0.70 DDB1 (0.48) POLBTP53THRBGPR119SMN1; SMN2
SCHEMBL31640294 0.70 DDB1 (0.52) POLBTP53THRBGPR119SMN1; SMN2

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 1356/4885TP53 1429/4885THRB 1088/4885

“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.