SCHEMBL20071680

SCHEMBL20071680

CC(=O)N1CCC(NC(=O)COS)CC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.57
EPHX2 P34913 13/20 0.53
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
ATF4 P18848 1/20 0.43

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
SCHEMBL20061880 0.81 EPHX1 (0.51) EPHX1EPHX2MEN1ALDH1A1KMT2A
SCHEMBL11896992 0.80 EPHX1 (0.59) EPHX1EPHX2SIGMAR1
SCHEMBL21424283 0.80 EPHX1 (0.59) EPHX1EPHX2SIGMAR1
SCHEMBL9893075 0.75 EPHX2 (0.67) EPHX1EPHX2
SCHEMBL6539120 0.73 EPHX2 (0.65) EPHX1EPHX2
SCHEMBL4341581 0.73 EPHX1 (1.00) EPHX1EPHX2ALDH1A1
SCHEMBL19423928 0.73 EPHX2 (0.59) EPHX1EPHX2
SCHEMBL19002609 0.72 EPHX2 (0.54) EPHX1EPHX2MEN1ALDH1A1KMT2A
SCHEMBL13306160 0.72 EPHX2 (0.62) EPHX1EPHX2
Hydrochloric Acid SCHEMBL9955677 0.71 EPHX2 (0.57) EPHX1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105512-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2018-04-19 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-20180105512-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES TPSD1, TPSAB1, TMSB4X EPHX1 4135/4885EPHX2 4331/4885MEN1 1290/4885

“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.