SCHEMBL25573152

SCHEMBL25573152

C=CC[C@]1(NC(=O)C(F)(F)F)C[C@H](N(Cc2ccccc2)Cc2ccccc2)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 9/20 0.38
CYP2C19 P33261 2/20 0.36
UBE2M P61081 6/20 0.34
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
MTOR P42345 1/20 0.33
AGER Q15109 2/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
MTNR1A P48039 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
OPRD1 P41143 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL25699420 0.80 CYP2C19 (0.36) DCUN1D1CYP2C19UBE2MGAAMEN1
SCHEMBL25699414 0.75 DPP8 (0.38) GAAMEN1ALDH1A1HTTKMT2A
SCHEMBL25573148 0.75 DPP8 (0.38) GAAMEN1ALDH1A1HTTKMT2A
SCHEMBL25573147 0.73 CCR5 (0.37) GAAMEN1ALDH1A1KMT2ADPP8
SCHEMBL25573149 0.73 CCR5 (0.37) GAAMEN1ALDH1A1KMT2ADPP8
SCHEMBL25568362 0.72
SCHEMBL25573150 0.71 SLC6A2 (0.38) GAA
SCHEMBL25572115 0.68 NPSR1 (0.44) MEN1ALDH1A1KMT2ADPP8DPP7
SCHEMBL20690478 0.66 CCR5 (0.43) MEN1ALDH1A1HTTKMT2ADPP8
SCHEMBL7950503 0.65 CES1 (0.40) CYP2C19MEN1ALDH1A1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023091438-A1 CHROMANE AMIDINE MONOBACTAM ANTIBIOTICS MERCK SHARP & DOHME LLC (US) 2023-05-25 WO disclosed
US-20230159517-A1 CHROMANE AMIDINE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME LLC (US) 2023-05-25 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-20230159517-A1 CHROMANE AMIDINE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS TCOF1, SLC10A2, PAM DCUN1D1 1868/4885CYP2C19 875/4885UBE2M 538/4885

“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.