SCHEMBL23629541

SCHEMBL23629541

COC(=O)c1ccc(OC(F)F)[nH]c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
GAA P10253 4/20 0.57
GLA P06280 2/20 0.57
MAPT P10636 5/20 0.41
HSD17B2 P37059 2/20 0.39
NR1I2 O75469 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK4 Q16654 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CHEK1 O14757 1/20 0.36
MET P08581 1/20 0.36
GSK3B P49841 1/20 0.36
LIMK1 P53667 1/20 0.36
DYRK1A Q13627 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36

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
SCHEMBL4898553 0.78 KDM4E (0.60) KDM4EGAAGLAMAPTHSD17B2
SCHEMBL4734537 0.73 KDM4E (0.68) KDM4EGAAGLAMAPTCA12
SCHEMBL10464803 0.73 KDM4E (1.00) KDM4EGAAGLAMAPTCA12
SCHEMBL4898591 0.73 KDM4E (0.54) KDM4EGAAGLAMAPTHSD17B2
SCHEMBL31032981 0.71 KDM4E (0.66) KDM4EGAAGLAMAPTCA12
SCHEMBL3056728 0.71 KDM4E (0.60) KDM4EGAAGLAHSD17B2
SCHEMBL10749314 0.69 KDM4E (0.62) KDM4EGAAGLAMAPTHSD17B2
SCHEMBL9341344 0.69 KDM4E (0.57) KDM4EGAAGLAMAPTCA12
SCHEMBL4904432 0.69 KDM4E (0.57) KDM4EGAAGLAMAPTHSD17B2
SCHEMBL1857268 0.68 CHEK1 (0.48) KDM4EGAAGLAMAPTCA12

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-11952364-B2 TRK inhibitors useful as anticancer drugs TYLIGAND BIOSCIENCE (SHANGHAI) LIMITED (CN) 2024-04-09 US disclosed
CN-112739691-B TRK inhibitors as anticancer agents 泰励生物科技(上海)有限公司 2023-05-23 CN disclosed
US-20220388983-A1 TRK INHIBITORS USEFUL AS ANTICANCER DRUGS TYLIGAND BIOSCIENCE (SHANGHAI) LIMITED (CN) 2022-12-08 US disclosed
EP-3848365-A1 TRK INHIBITOR AS ANTI-CANCER DRUG Tyligand Bioscience (Shanghai) Limited (CN) 2021-07-14 EP disclosed
CN-112739691-A TRK inhibitors as anticancer agents 泰励生物科技(上海)有限公司 2021-04-30 CN 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-11952364-B2 TRK inhibitors useful as anticancer drugs NTRK1, NTRK3, MUSK KDM4E 2651/4885GAA 3942/4885GLA 3617/4885
US-20220388983-A1 TRK INHIBITORS USEFUL AS ANTICANCER DRUGS NTRK1, NTRK3, MUSK KDM4E 2651/4885GAA 3942/4885GLA 3617/4885

“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.