SCHEMBL4828992

SCHEMBL4828992

COC(=O)c1ccc(O)cc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.49
KDM4E B2RXH2 4/20 0.49
TSHR P16473 2/20 0.49
HSD17B10 Q99714 2/20 0.49
P2RX1 P51575 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
CFTR P13569 1/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
PDK2 Q15119 1/20 0.47
PDK4 Q16654 1/20 0.47
ACLY P53396 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC8 Q9BY41 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
SCHEMBL4831188 0.91 CYP1A2 (0.54) RXFP1KDM4ETSHRHSD17B10CYP1A2
SCHEMBL4830861 0.86 CFTR (0.52) RXFP1KDM4ETSHRHSD17B10CYP1A2
SCHEMBL4825507 0.82 P2RX1 (0.51) RXFP1KDM4EP2RX1KMT2AMEN1
SCHEMBL7037355 0.82 RXFP1 (0.49) RXFP1KDM4ETSHRHSD17B10P2RX1
SCHEMBL4800345 0.82 KDM4E (0.59) KDM4ETSHRCYP1A2CYP2D6CYP2C19
SCHEMBL418801 0.81 SERPINE1 (0.52) RXFP1P2RX1CYP1A2CYP2D6CYP2C19
SCHEMBL4825591 0.81 ELANE (0.55) KDM4ETSHRHSD17B10CYP1A2CYP2D6
SCHEMBL2275077 0.80 KDM4E (0.66) KDM4ETSHRHSD17B10CYP1A2CYP2D6
SCHEMBL4836158 0.79 RHOC (0.47) RXFP1KDM4ETSHRHSD17B10P2RX1
SCHEMBL4825693 0.79 RXFP1 (0.52) RXFP1KDM4ETSHRHSD17B10CYP1A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293790-A1 SUBSTITUTED ARYL OXIMES WYETH (US) 2008-11-27 US disclosed
US-7420083-B2 Substituted aryloximes WYETH (US) 2008-09-02 US disclosed
EP-1663189-A1 4-(PHENYL-ETHYLIDENEAMINOXY-PROPOXY)-PHENYL-ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS AS PAI-1 INHIBITORS FOR THE TREATMENT OF IMPAIREMENT OF THE FIBRINOLYTIC SYSTEM AND OF THROMBISIS Wyeth (US) 2006-06-07 EP disclosed
WO-2005030193-A1 4-(PHENYL-ETHYLIDENEAMINOXY-PROPOXY) -PHENYL-ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS AS PAI-1 INHIBITORS FOR THE TREATMENT OF IMPAIRMENT OF THE FIBRINOLYTIC SYSTEM AND OF THROMBOSIS WYETH (US) 2005-04-07 WO disclosed
US-20050070584-A1 Substituted aryloximes WYETH (US) 2005-03-31 US 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 (2 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-20050070584-A1 Substituted aryloximes AHR, NQO1, AOX1 RXFP1 3424/4885KDM4E 509/4885TSHR 1688/4885
US-20080293790-A1 SUBSTITUTED ARYL OXIMES HCCS, AOX1, TET2 RXFP1 1877/4885KDM4E 598/4885TSHR 580/4885

“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.