SCHEMBL4336264

SCHEMBL4336264

C#CCC1C(=O)NC=CN1S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.38
CNR1 P21554 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
AKR1B1 P15121 1/20 0.36
PKM P14618 1/20 0.36
PKLR P30613 1/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.36
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36

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
SCHEMBL4336168 0.83 BDKRB1 (0.47) BDKRB1
SCHEMBL4333231 0.78 BDKRB1 (0.51) GAABDKRB1CYP2C19
SCHEMBL4333237 0.78 BDKRB1 (0.51) GAABDKRB1CYP2C19
SCHEMBL4339025 0.77 BDKRB1 (0.50) HSD11B1CNR1HTTALDH1A1USP2
SCHEMBL4339020 0.77 BDKRB1 (0.50) HSD11B1CNR1HTTALDH1A1USP2
SCHEMBL4350148 0.76 BDKRB1 (0.43) BDKRB1
SCHEMBL4336063 0.76 BDKRB1 (0.55) BDKRB1
SCHEMBL4350155 0.76 BDKRB1 (0.43) BDKRB1
SCHEMBL4343889 0.73 BDKRB1 (0.47) MMP2PKMPKLRBDKRB1
SCHEMBL4340817 0.70 NOTUM (0.38) CA1CA2HPGDGAABDKRB1

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-7612060-B2 Triazoles and methods of use AMGEN INC. (US) 2009-11-03 US disclosed
US-20060100213-A1 Triazoles and methods of use AMGEN INC. (US) 2006-05-11 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-20060100213-A1 Triazoles and methods of use CYP3A5, CYP3A43, CYP2E1 HSD11B1 224/4885CNR1 192/4885HTT 2780/4885

“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.