SCHEMBL731883

SCHEMBL731883

CCOC(=O)Cn1ncc2c1CCCC2N(C)S(=O)(=O)c1cnc(Oc2ccc(F)cc2OC)c(Br)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
CCNT1 O60563 8/20 0.33
CDK9 P50750 8/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
TNF P01375 1/20 0.31
LITAF Q99732 1/20 0.31
MEN1 O00255 1/20 0.31
TTR P02766 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL731882 1.00 SCN9A (0.35) SCN9APDE4APDE4BPDE4CPDE4D
SCHEMBL733266 0.93 SCN9A (0.40) SCN9APTGDR2LMNAL3MBTL1
SCHEMBL733265 0.93 SCN9A (0.40) SCN9APTGDR2LMNAL3MBTL1
SCHEMBL732533 0.92 SCN9A (0.36) SCN9ACCNT1CDK9PTGDR2LMNA
SCHEMBL732534 0.92 SCN9A (0.36) SCN9ACCNT1CDK9PTGDR2LMNA
SCHEMBL13513374 0.92 SCN9A (0.34) SCN9APDE4APDE4BPDE4CPDE4D
SCHEMBL731672 0.92 PTGDR2 (0.35) SCN9APDE4APDE4BPDE4CPDE4D
SCHEMBL731673 0.92 PTGDR2 (0.35) SCN9APDE4APDE4BPDE4CPDE4D
SCHEMBL734181 0.90 POLB (0.36) SCN9APTGDR2KMT2AL3MBTL1
SCHEMBL734182 0.90 POLB (0.36) SCN9APTGDR2KMT2AL3MBTL1

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 2017/4885PDE4A 697/4885PDE4B 994/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 SCN9A 2017/4885PDE4A 697/4885PDE4B 994/4885

“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.