SCHEMBL734032

SCHEMBL734032

O=C(O)Cn1ncc2c1CCC[C@H]2NCS(=O)(=O)c1cc(Cl)c(Oc2ccc(F)cc2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.36
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC22A12 Q96S37 2/20 0.34
SCN2B O60939 1/20 0.34
SCN1A P35498 1/20 0.34
SCN1B Q07699 1/20 0.34
SCN5A Q14524 1/20 0.34
RAB9A P51151 1/20 0.33
NOD2 Q9HC29 1/20 0.33
NOD1 Q9Y239 1/20 0.33
POLB P06746 1/20 0.33
DHODH Q02127 1/20 0.33

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
SCHEMBL732339 0.91 GAA (0.34) GAAKMT2ASMN1; SMN2RAB9ANOD2
SCHEMBL734491 0.89 FFAR1 (0.35) SCN9AGAAKMT2ASMN1; SMN2SCN1A
SCHEMBL734510 0.87 HIF1A (0.36) SCN9AGAAKMT2ASMN1; SMN2RAB9A
SCHEMBL732300 0.84 ATM (0.36) GAAKMT2ASMN1; SMN2RAB9ANOD2
SCHEMBL732248 0.83 KDM4C (0.40) SCN9AGAAKMT2ASMN1; SMN2NOD2
SCHEMBL731745 0.83 SCN9A (0.35) SCN9ASLC22A12NOD2NOD1DHODH
SCHEMBL734190 0.83 SOS1 (0.39) SCN9A
SCHEMBL732240 0.83 FFAR1 (0.40) SCN9A
SCHEMBL732256 0.83 KDM4C (0.39) KMT2ARAB9ANOD2NOD1POLB
SCHEMBL733320 0.83 EPAS1 (0.36) GAAKMT2ASMN1; SMN2RAB9ANOD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307383-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2012-05-16 EP claimed
US-8138208-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-03-20 US claimed
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US claimed
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 2017/4885GAA 1669/4885KMT2A 2156/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 SCN9A 2017/4885GAA 1669/4885KMT2A 2156/4885

“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.