SCHEMBL4870195

SCHEMBL4870195

Nc1c(C(=O)O)cccc1C(=O)c1ccccc1OC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.46
KCNK3 O14649 4/20 0.44
KCNK9 Q9NPC2 4/20 0.44
G6PD P11413 1/20 0.44
CASP7 P55210 1/20 0.44
CASP6 P55212 1/20 0.44
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
RXFP1 Q9HBX9 1/20 0.40
F2R P25116 1/20 0.40
ELANE P08246 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
ANO1 Q5XXA6 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ESR1 P03372 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
HMGB1 P09429 1/20 0.38

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
SCHEMBL27286117 0.86 CDK2 (0.41) CDK2KCNK3KCNK9G6PDCASP7
SCHEMBL161228 0.86 G6PD (0.50) CDK2KCNK3KCNK9G6PDCASP7
Hydrochloric Acid SCHEMBL3071146 0.84 G6PD (0.49) CDK2KCNK3KCNK9G6PDCASP7
SCHEMBL5784212 0.84 ELANE (0.52) CDK2KCNK3KCNK9RXRARXRB
Hydrochloric Acid SCHEMBL3071144 0.83 G6PD (0.47) CDK2KCNK3KCNK9G6PDCASP7
SCHEMBL4870178 0.83 CDK2 (0.44) CDK2KCNK3KCNK9RXRARXRB
SCHEMBL29374906 0.82 KDM4E (0.53) KCNK3KCNK9RXRARXRBRXRG
SCHEMBL219675 0.82 KDM4E (0.53) KCNK3KCNK9RXRARXRBRXRG
SCHEMBL10937430 0.78 ELANE (0.57) CDK2KCNK3KCNK9RXRARXRB
SCHEMBL4865222 0.77 UCHL1 (0.50) CDK2KCNK3KCNK9G6PDCASP7

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
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
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 CDK2 751/4885KCNK3 3040/4885KCNK9 4566/4885
US-20080293790-A1 SUBSTITUTED ARYL OXIMES HCCS, AOX1, TET2 CDK2 776/4885KCNK3 3300/4885KCNK9 4608/4885

“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.