SCHEMBL4339025

SCHEMBL4339025

C#CCC1C(=O)NCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.50
HTT P42858 1/20 0.42
HSD11B1 P28845 1/20 0.42
CNR1 P21554 1/20 0.42
GAA P10253 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 3/20 0.41
TSHR P16473 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
PKM P14618 1/20 0.40
PKLR P30613 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
KDM1B Q8NB78 1/20 0.40

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
SCHEMBL4339020 1.00 BDKRB1 (0.50) BDKRB1HTTHSD11B1CNR1GAA
SCHEMBL4331409 0.83 ALDH1A1 (0.48) BDKRB1HTTGAASMN1; SMN2TSHR
SCHEMBL4331412 0.83 ALDH1A1 (0.48) BDKRB1HTTGAASMN1; SMN2TSHR
SCHEMBL4336264 0.77 HSD11B1 (0.38) BDKRB1HTTHSD11B1CNR1GAA
SCHEMBL4339955 0.76 ALDH1A1 (0.64) BDKRB1GAAKMT2APOLBCYP3A4
SCHEMBL4344806 0.76 ALDH1A1 (0.61) BDKRB1HTTHSD11B1GAAKMT2A
SCHEMBL4339959 0.76 ALDH1A1 (0.64) BDKRB1GAAKMT2APOLBCYP3A4
SCHEMBL4344810 0.76 ALDH1A1 (0.61) BDKRB1HTTHSD11B1GAAKMT2A
SCHEMBL4342900 0.73 ALDH1A1 (0.52) BDKRB1HTTHSD11B1GAAKMT2A
SCHEMBL5001920 0.69 L3MBTL1 (0.57) HTTHSD11B1CNR1GAASMN1; SMN2

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 BDKRB1 138/4885HTT 2780/4885HSD11B1 224/4885

“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.