SCHEMBL6223409

SCHEMBL6223409

CNc1ccc(I)cc1C(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.58
POLB P06746 2/20 0.58
ATM Q13315 2/20 0.58
PTPRC P08575 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPRA P18433 1/20 0.44
PTPRB P23467 1/20 0.44
PTPRE P23469 1/20 0.44
PTPN6 P29350 1/20 0.44
ALDH1A1 P00352 8/20 0.41
GAA P10253 7/20 0.41
GLA P06280 3/20 0.41
HSD17B10 Q99714 4/20 0.41
KMT2A Q03164 1/20 0.41
MAPK1 P28482 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41

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
SCHEMBL5735678 0.86 PTPRC (0.44) KDM4EPOLBATMPTPRCPTPN2
Hydrochloric Acid SCHEMBL5735673 0.84 PTPRC (0.42) KDM4EPOLBATMPTPRCPTPN2
SCHEMBL2384775 0.81 PTPRC (0.64) KDM4EPTPRCPTPN2PTPN1PTPRA
SCHEMBL12763922 0.81 KDM4E (0.43) KDM4EPOLBATMPTPRCPTPN2
SCHEMBL31585831 0.81 CA12 (0.50) KDM4EPOLBATMPTPRCPTPN2
SCHEMBL15326189 0.81 CA12 (0.50) KDM4EPOLBATMPTPRCPTPN2
SCHEMBL5947406 0.80 KDM4E (0.57) KDM4EPOLBALDH1A1HSD17B10KMT2A
SCHEMBL6706077 0.80 KDM4E (0.64) KDM4EPOLBATMPTPRCPTPN2
SCHEMBL8340768 0.80 KDM4E (0.59) KDM4EPOLBATMALDH1A1GAA
SCHEMBL1277539 0.79 CA12 (0.44) KDM4EPOLBATMPTPRCPTPN2

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-1572693-A1 MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITING COMPOUNDS Pharmacia Corporation (US) 2005-09-14 EP disclosed
US-20040209897-A1 Mitogen activated protein kinase-activated protein kinase-2 inhibiting compounds PHARMACIA CORPORATION 2004-10-21 US disclosed
WO-2004058762-A1 MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITING COMPOUNDS PHARMACIA CORPORATION (US) 2004-07-15 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-20040209897-A1 Mitogen activated protein kinase-activated protein kinase-2 inhibiting compounds MAPKAPK2, MAP3K2, MKNK2 KDM4E 2767/4885POLB 2575/4885ATM 487/4885

“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.