SCHEMBL19216532

SCHEMBL19216532

CC(C)(F)c1onc(-c2ccc(Cl)cc2Cl)c1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 12/20 0.54
POLB P06746 2/20 0.48
PPARD Q03181 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
GPBAR1 Q8TDU6 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
PPARG P37231 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 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
SCHEMBL19216570 0.84 IDH1 (0.52) IDH1
SCHEMBL19216804 0.82 IDH1 (0.54) IDH1
SCHEMBL19216697 0.81 IDH1 (0.55) IDH1
SCHEMBL19216535 0.80 ALDH1A1 (0.48) IDH1POLBPPARDALDH1A1MAPT
SCHEMBL19216694 0.80 IDH1 (0.55) IDH1
SCHEMBL19216606 0.80 IDH1 (0.55) IDH1
SCHEMBL19216605 0.78 IDH1 (0.53) IDH1
SCHEMBL19216797 0.78 ALDH1A1 (0.54) IDH1POLBALDH1A1MAPTKDM4E
SCHEMBL19216534 0.78 IDH1 (0.52) IDH1
SCHEMBL19216611 0.77 IDH1 (0.56) IDH1

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-10040791-B2 Isoxazole derivative as mutant isocitrate dehydrogenase 1 inhibitor DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-08-07 US disclosed
US-10040791-B2 Isoxazole derivative as mutant isocitrate dehydrogenase 1 inhibitor DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-08-07 US disclosed
US-20170313696-A1 ISOXAZOLE DERIVATIVE AS MUTANT ISOCITRATE DEHYDROGENASE 1 INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-11-02 US disclosed
US-20170313696-A1 ISOXAZOLE DERIVATIVE AS MUTANT ISOCITRATE DEHYDROGENASE 1 INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-11-02 US disclosed
EP-3202766-A1 ISOXAZOLE DERIVATIVE AS MUTATED ISOCITRATE DEHYDROGENASE 1 INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-08-09 EP 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-20170313696-A1 ISOXAZOLE DERIVATIVE AS MUTANT ISOCITRATE DEHYDROGENASE 1 INHIBITOR IDH1, IDH3A, IDH3B IDH1 1/4885POLB 3870/4885PPARD 3285/4885
US-10040791-B2 Isoxazole derivative as mutant isocitrate dehydrogenase 1 inhibitor IDH1, IDH3A, IDH3B IDH1 1/4885POLB 3870/4885PPARD 3285/4885

“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.