SCHEMBL29122166

SCHEMBL29122166

COCOc1cccc(OC(F)(F)F)c1C=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.36
PTPN1 P18031 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
KCNK3 O14649 1/20 0.34
KCNK9 Q9NPC2 1/20 0.34
PIM1 P11309 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
ABL1 P00519 1/20 0.33
NTRK1 P04629 1/20 0.33
FYN P06241 1/20 0.33
CSF1R P07333 1/20 0.33
RET P07949 1/20 0.33
IGF1R P08069 1/20 0.33

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
SCHEMBL3218241 0.87 PTPN1 (0.42) BACE1PTPN1PIM1L3MBTL1ALDH1A1
SCHEMBL3205905 0.82 BACE1 (0.45) BACE1PTPN1PIM1ALDH1A1CHEK1
SCHEMBL34462800 0.82 BACE1 (0.45) BACE1PTPN1PIM1ALDH1A1CHEK1
SCHEMBL6683418 0.80 ALDH1A1 (0.40) BACE1PTPN1PIM1L3MBTL1ALDH1A1
SCHEMBL3710628 0.79 RXRA (0.35) BACE1PTPN1RXRARXRBRXRG
SCHEMBL2322334 0.79 RXRA (0.46) PTPN1RXRARXRBRXRGKCNK3
SCHEMBL29860268 0.79 RXRA (0.46) PTPN1RXRARXRBRXRGKCNK3
SCHEMBL29121994 0.78 BACE1 (0.33) BACE1RXRARXRBRXRG
SCHEMBL18190386 0.76 PTPN1 (0.35) PTPN1RXRARXRBRXRGKCNK3
SCHEMBL20541205 0.76 ALDH1A1 (0.52) BACE1PTPN1PIM1L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 US disclosed
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 US disclosed
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 US disclosed
CN-117120419-A KLK5 bicyclic heteroaromatic inhibitors 拜奥克里斯特制药公司 2023-11-24 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 (1 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-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 KLK5, KLK1, KLKB1 BACE1 484/4885PTPN1 3250/4885RXRA 3326/4885

“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.