SCHEMBL17366464

SCHEMBL17366464

CCCCCc1ccc(OCCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.59
CA1 P00915 5/20 0.59
CA2 P00918 5/20 0.59
CA9 Q16790 5/20 0.59
ALDH1A1 P00352 2/20 0.56
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
USP2 O75604 1/20 0.49
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49
CASP1 P29466 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SLCO1B3 Q9NPD5 1/20 0.49
SLCO1B1 Q9Y6L6 1/20 0.49
NPC1 O15118 2/20 0.48
S1PR4 O95977 2/20 0.48
S1PR1 P21453 2/20 0.48

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
SCHEMBL13907700 0.91 ALDH1A1 (0.68) CA12CA1CA2CA9ALDH1A1
SCHEMBL2328368 0.89 CA1 (0.61) CA12CA1CA2CA9ALDH1A1
SCHEMBL17806188 0.88 ALDH1A1 (0.52) CA12CA1CA2CA9ALDH1A1
SCHEMBL16572363 0.87 CA12 (0.50) CA12CA1CA2CA9ALDH1A1
SCHEMBL19003451 0.86 ACACB (0.61) CA12CA1CA2CA9ALDH1A1
SCHEMBL15391900 0.86 CA12 (0.63) CA12CA1CA2CA9ALDH1A1
SCHEMBL17974332 0.85 CA12 (0.66) CA12CA1CA2CA9ALDH1A1
SCHEMBL6283213 0.85 CA1 (0.55) CA1CA2KMT2AMEN1LMNA
SCHEMBL1541945 0.84 CA1 (0.64) CA12CA1CA2CA9ALDH1A1
SCHEMBL13185193 0.84 CA12 (0.67) CA12CA1CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856224-B2 Stable sodium channel blockers PARION SCIENCES, INC. (US) 2018-01-02 US disclosed
US-20170267649-A1 STABLE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2017-09-21 US disclosed
US-20150376145-A1 STABLE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2015-12-31 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 (2 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-20150376145-A1 STABLE SODIUM CHANNEL BLOCKERS SCN1B, SCN2B, CACNA1B CA12 1686/4885CA1 1880/4885CA2 241/4885
US-20170267649-A1 STABLE SODIUM CHANNEL BLOCKERS SCN1B, SCN2B, CACNA1B CA12 1686/4885CA1 1880/4885CA2 241/4885

“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.