SCHEMBL733783

SCHEMBL733783

CCOC(=O)Cn1ncc2c1CCCC2NS(=O)(=O)c1cc(F)c(Oc2ccc(F)cc2)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.37
NOD1 Q9Y239 3/20 0.37
NOD2 Q9HC29 1/20 0.37
POLB P06746 3/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 4/20 0.34
DHODH Q02127 2/20 0.34
NR2F2 P24468 1/20 0.34
KMT2A Q03164 3/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GCK P35557 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
GALR3 O60755 1/20 0.33
TNF P01375 1/20 0.33
MEN1 O00255 1/20 0.32

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
SCHEMBL733782 1.00 SCN9A (0.37) SCN9ANOD1NOD2POLBALDH1A1
SCHEMBL732679 0.90 GAA (0.35) SCN9ANOD1NOD2POLBRAB9A
SCHEMBL732680 0.90 GAA (0.35) SCN9ANOD1NOD2POLBRAB9A
SCHEMBL734320 0.85 ALDH1A1 (0.40) SCN9ANOD1NOD2ALDH1A1TP53
SCHEMBL734319 0.85 ALDH1A1 (0.40) SCN9ANOD1NOD2ALDH1A1TP53
SCHEMBL734414 0.85 SCN9A (0.34) SCN9ANOD1NOD2POLBGAA
SCHEMBL734415 0.85 SCN9A (0.34) SCN9ANOD1NOD2POLBGAA
SCHEMBL732501 0.83 ALDH1A1 (0.44) NOD1NOD2POLBALDH1A1TP53
SCHEMBL732502 0.83 ALDH1A1 (0.44) NOD1NOD2POLBALDH1A1TP53
SCHEMBL701541 0.82 ALDH1A1 (0.41) NOD1POLBALDH1A1TP53HPGD

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 2017/4885NOD1 2768/4885NOD2 2545/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 SCN9A 2017/4885NOD1 2768/4885NOD2 2545/4885

“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.