SCHEMBL786127

SCHEMBL786127

COC(=O)[C@H](C(OCc1ccccc1)=[N+](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)n1cc[n+](C)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CA1 P00915 5/20 0.32
CA2 P00918 5/20 0.32
ACHE P22303 3/20 0.32
CA12 O43570 2/20 0.32
CA9 Q16790 2/20 0.32
ELANE P08246 2/20 0.32
ALDH1A1 P00352 2/20 0.32
PTPN1 P18031 2/20 0.32
TSHR P16473 1/20 0.31
POLB P06746 1/20 0.31
PTPRC P08575 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
ALOX15 P16050 1/20 0.31
MBOAT4 Q96T53 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
SCHEMBL186960 1.00 MEN1 (0.35) MEN1KMT2ACA1CA2ACHE
SCHEMBL186521 1.00 MEN1 (0.35) MEN1KMT2ACA1CA2ACHE
SCHEMBL786727 0.92 LMNA (0.35) MEN1KMT2AALDH1A1TSHR
SCHEMBL187471 0.92 LMNA (0.35) MEN1KMT2AALDH1A1TSHR
SCHEMBL186158 0.92 LMNA (0.35) MEN1KMT2AALDH1A1TSHR
SCHEMBL785882 0.91 KMT2A (0.34) KMT2ACA1CA2ACHEALDH1A1
SCHEMBL786330 0.91 KMT2A (0.35) MEN1KMT2AELANE
SCHEMBL186932 0.88 ALDH1A1 (0.39) ALDH1A1TSHRPOLBMBOAT4
SCHEMBL206522 0.88 ALDH1A1 (0.39) ALDH1A1TSHRPOLBMBOAT4
SCHEMBL187927 0.88 ALDH1A1 (0.39) ALDH1A1TSHRPOLBMBOAT4

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-8785655-B2 Ionic liquid solvents DUBLIN CITY UNIVERSITY (IE) 2014-07-22 US claimed
US-20120071661-A1 Ionic Liquid Solvents DUBLIN CITY UNIVERSITY (IE) 2012-03-22 US claimed

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-20120071661-A1 Ionic Liquid Solvents EBP, PAICS, HACD3 MEN1 3011/4885KMT2A 3968/4885CA1 483/4885

“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.