SCHEMBL21995320

SCHEMBL21995320

CC(C)(C)OC(=O)N1Cc2[nH]nc(C(F)(F)F)c2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.38
RBP4 P02753 1/20 0.38
MAPK1 P28482 1/20 0.37
DPP4 P27487 2/20 0.37
DPP8 Q6V1X1 2/20 0.37
DPP9 Q86TI2 2/20 0.37
DPP7 Q9UHL4 2/20 0.37
NAMPT P43490 2/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
THRB P10828 1/20 0.34
SPR P35270 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL1424003 0.88 DPP4 (0.46) NR1H2RBP4MAPK1DPP4DPP8
SCHEMBL1009435 0.88 DPP4 (0.46) NR1H2RBP4MAPK1DPP4DPP8
SCHEMBL5720844 0.83 NR1H2 (0.40) NR1H2MAPK1NAMPTDDB1CRBN
SCHEMBL19376755 0.82 NR1H2 (0.40) NR1H2MAPK1NAMPTDDB1CRBN
SCHEMBL2915130 0.81 NR1H2 (0.40) NR1H2MAPK1NAMPTDDB1CRBN
SCHEMBL23881432 0.80 DPP4 (0.40) RBP4DPP4DPP8DPP9DPP7
SCHEMBL17222996 0.80 HCAR2 (0.43) NR1H2RBP4NAMPT
SCHEMBL12364069 0.79 NR1H2 (0.56) NR1H2MAPK1DDB1CRBNUSP2
SCHEMBL29844187 0.78 MAPK1 (0.47) MAPK1MAPTGPR119HDAC4
SCHEMBL21237549 0.78 ADORA1 (0.45) NR1H2RBP4MAPK1DPP4DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3887371-B1 ARYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN LA ROCHE (CH) 2023-02-22 EP disclosed
US-20210309658-A1 ARYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2021-10-07 US disclosed
US-20210309658-A1 ARYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2021-10-07 US disclosed
EP-3887371-A1 ARYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2021-10-06 EP disclosed
CN-113166144-A Aryl compounds for the treatment and prevention of bacterial infections 豪夫迈·罗氏有限公司 2021-07-23 CN disclosed
WO-2020109191-A1 ARYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2020-06-04 WO 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-20210309658-A1 ARYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION CFTR, QDPR, FPR1 NR1H2 131/4885RBP4 2615/4885MAPK1 885/4885

“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.