SCHEMBL733266

SCHEMBL733266

CCOC(=O)Cn1ncc2c1CCCC2N(C)S(=O)(=O)c1cnc(Oc2ccc(F)cc2F)c(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.40
LMNA P02545 1/20 0.37
BRD4 O60885 5/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.33
POLB P06746 1/20 0.32
MAPK8 P45983 1/20 0.32
RAB9A P51151 3/20 0.32
NR2F2 P24468 1/20 0.32
KDM4C Q9H3R0 1/20 0.31
S1PR1 P21453 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DHODH Q02127 1/20 0.31
NOD1 Q9Y239 1/20 0.31
NPC1 O15118 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
SCHEMBL733265 1.00 SCN9A (0.40) SCN9ALMNABRD4PTGDR2POLB
SCHEMBL732533 0.93 SCN9A (0.36) SCN9ALMNAPTGDR2POLBL3MBTL1
SCHEMBL732786 0.93 SCN9A (0.35) SCN9ALMNAPTGDR2L3MBTL1NPC1
SCHEMBL731883 0.93 SCN9A (0.35) SCN9ALMNAPTGDR2L3MBTL1
SCHEMBL731882 0.93 SCN9A (0.35) SCN9ALMNAPTGDR2L3MBTL1
SCHEMBL732785 0.93 SCN9A (0.35) SCN9ALMNAPTGDR2L3MBTL1NPC1
SCHEMBL732534 0.93 SCN9A (0.36) SCN9ALMNAPTGDR2POLBL3MBTL1
SCHEMBL734181 0.92 POLB (0.36) SCN9APTGDR2POLBL3MBTL1NOD1
SCHEMBL734182 0.92 POLB (0.36) SCN9APTGDR2POLBL3MBTL1NOD1
SCHEMBL731687 0.92 SCN9A (0.37) SCN9ABRD4PTGDR2KDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420675-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2013-04-16 US disclosed
EP-2307383-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2012-05-16 EP disclosed
US-20120101131-A1 Aminotetrahydroindazoloacetic Acids CHEN LI (CN) 2012-04-26 US disclosed
US-8138208-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-03-20 US disclosed
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 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-20120101131-A1 Aminotetrahydroindazoloacetic Acids HRH2, HRH1, HRH4 SCN9A 2017/4885LMNA 3455/4885BRD4 3639/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 SCN9A 2017/4885LMNA 3455/4885BRD4 3639/4885

“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.