SCHEMBL426004

SCHEMBL426004

CN(C(=O)n1cnc(-c2ccc(S(N)(=O)=O)cc2)c1)C1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.66
CES2 O00748 1/20 0.66
S1PR1 P21453 2/20 0.45
CA1 P00915 7/20 0.42
CA2 P00918 7/20 0.42
CA9 Q16790 4/20 0.42
CA12 O43570 2/20 0.42
CA5A P35218 2/20 0.42
CA7 P43166 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
CA14 Q9ULX7 1/20 0.42
PTGS2 P35354 2/20 0.41
PTGS1 P23219 1/20 0.41
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.39
CHRNA7 P36544 1/20 0.39

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
SCHEMBL426096 0.90 FAAH (0.67) FAAHCES2PTGS2PTGS1POLB
SCHEMBL425056 0.86 FAAH (0.65) FAAHCES2S1PR1POLBALDH1A1
SCHEMBL424238 0.86 FAAH (0.60) FAAHCES2S1PR1CA1CA2
SCHEMBL425914 0.85 FAAH (0.66) FAAHCES2S1PR1POLBKMT2A
SCHEMBL14950289 0.85 FAAH (0.66) FAAHCES2S1PR1POLBTRPV1
SCHEMBL425960 0.84 FAAH (0.62) FAAHCES2S1PR1POLBTRPV1
SCHEMBL425811 0.84 FAAH (0.65) FAAHCES2S1PR1POLBKMT2A
SCHEMBL425807 0.84 FAAH (0.65) FAAHCES2S1PR1POLBKMT2A
SCHEMBL14950186 0.83 FAAH (0.64) FAAHCES2S1PR1POLBTRPV1
SCHEMBL424383 0.83 FAAH (0.74) FAAHCES2S1PR1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 FAAH 1/4885CES2 62/4885S1PR1 688/4885

“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.