SCHEMBL4721188

SCHEMBL4721188

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 10/20 0.51
TP53 P04637 6/20 0.51
MAPT P10636 3/20 0.51
RXFP1 Q9HBX9 1/20 0.50
RAB9A P51151 1/20 0.49
PTGS1 P23219 1/20 0.49
GABRA5 P31644 1/20 0.48
GPBAR1 Q8TDU6 3/20 0.45
CYP1A1 P04798 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2E1 P05181 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2A6 P11509 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP4B1 P13584 1/20 0.45
CYP2B6 P20813 1/20 0.45
CYP3A5 P20815 1/20 0.45
CYP2A7 P20853 1/20 0.45

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
SCHEMBL4720864 0.88 LMNA (0.46) LMNATP53MAPTRXFP1PTGS1
SCHEMBL2473817 0.87 LMNA (0.66) LMNATP53MAPTRAB9APTGS1
SCHEMBL2470848 0.86 PTGS1 (0.66) LMNATP53RAB9APTGS1GABRA5
SCHEMBL11893490 0.82 LMNA (0.56) LMNATP53MAPTRXFP1RAB9A
SCHEMBL4421950 0.81 MLYCD (0.47) LMNARAB9APTGS1
SCHEMBL4010252 0.81 POLB (0.68) LMNAMAPTPOLBGHSR
SCHEMBL4310411 0.78 LMNA (0.51) LMNATP53MAPTRXFP1RAB9A
SCHEMBL4761148 0.77 FFAR4 (0.44) MAPTRAB9AGABRA5GPBAR1CYP1A2
SCHEMBL11893597 0.77 LMNA (0.53) LMNATP53MAPTRXFP1RAB9A
SCHEMBL2475005 0.76 LMNA (0.52) LMNATP53MAPTRAB9APTGS1

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 LMNA 4135/4885TP53 1429/4885MAPT 523/4885

“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.