SCHEMBL4825591

SCHEMBL4825591

COC(=O)c1ccc(O)cc1NC(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.55
PRTN3 P24158 1/20 0.55
KDM4E B2RXH2 4/20 0.53
MAPT P10636 3/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
POLB P06746 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
IGF2BP2 Q9Y6M1 1/20 0.53
TRPV1 Q8NER1 4/20 0.52
TSHR P16473 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
ABL1 P00519 1/20 0.52
KCNK2 O95069 2/20 0.51
KCNK10 P57789 2/20 0.51
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 2/20 0.46

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 0.87 CYP1A2 (0.54) ELANEPRTN3KDM4EMAPTALDH1A1
SCHEMBL4836211 0.86 MAPT (0.54) ELANEPRTN3KDM4EMAPTALDH1A1
SCHEMBL4800345 0.83 KDM4E (0.59) ELANEPRTN3KDM4EMAPTALDH1A1
SCHEMBL4825570 0.82 MAPT (0.53) KDM4EMAPTALDH1A1HPGDPOLB
SCHEMBL2275077 0.81 KDM4E (0.66) ELANEPRTN3KDM4EMAPTALDH1A1
SCHEMBL4828992 0.81 RXFP1 (0.49) ELANEPRTN3KDM4EMAPTALDH1A1
SCHEMBL4836085 0.81 NPC1 (0.47) ELANEPRTN3KDM4EMAPTALDH1A1
SCHEMBL30523269 0.80 IGF2BP2 (0.62) ELANEPRTN3KDM4EMAPTALDH1A1
SCHEMBL4835334 0.80 TSHR (0.58) ELANEPRTN3KDM4EMAPTHPGD
SCHEMBL4829005 0.79 KDM4E (0.63) ELANEPRTN3KDM4EMAPTALDH1A1

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 ELANE 1210/4885PRTN3 765/4885KDM4E 509/4885
US-20080293790-A1 SUBSTITUTED ARYL OXIMES HCCS, AOX1, TET2 ELANE 1653/4885PRTN3 927/4885KDM4E 598/4885

“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.