SCHEMBL21391859

SCHEMBL21391859

O=C(COc1cccc(Cl)c1)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR34 Q9UPC5 9/20 0.71
HTRA1 Q92743 3/20 0.57
GPR132 Q9UNW8 1/20 0.57
PTPN2 P17706 1/20 0.54
PTPN1 P18031 1/20 0.54
CDC25B P30305 1/20 0.54
TP53 P04637 1/20 0.54
GAA P10253 1/20 0.54
ALOX12 P18054 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ADAMTS5 Q9UNA0 1/20 0.54

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
SCHEMBL18228910 1.00 GPR34 (0.71) GPR34HTRA1GPR132PTPN2PTPN1
SCHEMBL21959502 0.90 GPR34 (0.68) GPR34HTRA1PTPN2PTPN1CDC25B
SCHEMBL18228657 0.90 GPR34 (0.68) GPR34HTRA1PTPN2PTPN1CDC25B
SCHEMBL10727176 0.88 GPR34 (0.73) GPR34GPR132MEN1KMT2A
SCHEMBL7296506 0.88 GPR34 (0.73) GPR34GPR132MEN1KMT2A
SCHEMBL7970010 0.88 GPR34 (0.73) GPR34GPR132MEN1KMT2A
SCHEMBL27154066 0.87 GPR34 (0.83) GPR34PTPN2PTPN1CDC25BMEN1
SCHEMBL10724456 0.87 GPR34 (0.83) GPR34PTPN2PTPN1CDC25BMEN1
SCHEMBL21959107 0.85 GPR34 (0.65) GPR34HTRA1PTPN2PTPN1CDC25B
SCHEMBL18228648 0.85 GPR34 (0.65) GPR34HTRA1PTPN2PTPN1CDC25B

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
CN-107531653-B Novel difluoroketoamide derivatives 豪夫迈·罗氏有限公司 2021-10-19 CN disclosed
EP-3294718-B1 NEW DIFLUOROKETAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-04-29 EP disclosed
US-10428108-B2 Difluoroketamide derivatives HOFFMANN-LA ROCHE INC. (US) 2019-10-01 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 (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-10428108-B2 Difluoroketamide derivatives PRMT9, CDK9, FLT3 GPR34 1793/4885HTRA1 4586/4885GPR132 3763/4885

“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.