SCHEMBL6697820

SCHEMBL6697820

Cc1nc[nH]c1CC(C(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)N1CCNc2ccccc2C1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
OPRD1 P41143 1/20 0.31
DPP4 P27487 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL6694497 0.69 MEN1 (0.36) DPP4MEN1KMT2A
SCHEMBL6697812 0.60 CYP2C9 (0.33)
SCHEMBL6696196 0.59 MAOA (0.40) OPRD1MEN1KMT2A
SCHEMBL12533132 0.59 MAPK1 (0.47) DPP4MEN1KMT2A
SCHEMBL8181127 0.58 KMT2A (0.46) TSHRMEN1KMT2A
SCHEMBL31332341 0.53 SIGMAR1 (0.54) TSHRMEN1KMT2A
SCHEMBL2849413 0.52 MAOA (0.53) TSHR
SCHEMBL10280392 0.52 MAPK1 (0.47)
SCHEMBL2818152 0.51 MAPK1 (0.63) DPP4MEN1KMT2A
SCHEMBL15919668 0.51 NPY2R (0.81) MEN1KMT2A

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
US-20040009972-A1 Benzodiazepine inhibitors of mitochondial F1F0 ATP hydrolase and methods of inhibiting F1F0 ATP hydrolase BRISTOL-MYERS COMPANY 2004-01-15 US disclosed
WO-2003106628-A2 BENZODIAZEPINE INHIBITORS OF MITOCHONDIAL F1F0 ATP HYDROLASE AND METHODS OF INHIBITING F1F0 ATP HYDROLASE BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-24 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-20040009972-A1 Benzodiazepine inhibitors of mitochondial F1F0 ATP hydrolase and methods of inhibiting F1F0 ATP hydrolase MT-ATP6, MT-CO1, ATP5ME TSHR 1979/4885OPRD1 289/4885DPP4 3992/4885

“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.