SCHEMBL732680

SCHEMBL732680

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RAB9A P51151 3/20 0.34
NOD1 Q9Y239 3/20 0.34
NOD2 Q9HC29 1/20 0.34
SCN9A Q15858 2/20 0.34
KDM4C Q9H3R0 1/20 0.34
POLB P06746 1/20 0.34
DHODH Q02127 2/20 0.33
KDM4E B2RXH2 1/20 0.33
RECQL P46063 1/20 0.33
GALR3 O60755 1/20 0.33
TNF P01375 1/20 0.33
PREP P48147 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
SCHEMBL732679 1.00 GAA (0.35) GAAKMT2ASMN1; SMN2RAB9ANOD1
SCHEMBL733782 0.90 SCN9A (0.37) GAAKMT2ASMN1; SMN2RAB9ANOD1
SCHEMBL733783 0.90 SCN9A (0.37) GAAKMT2ASMN1; SMN2RAB9ANOD1
SCHEMBL732339 0.89 GAA (0.34) GAAKMT2ASMN1; SMN2RAB9ANOD1
SCHEMBL732107 0.84 KDM4C (0.41) SCN9AKDM4C
SCHEMBL732108 0.84 KDM4C (0.41) SCN9AKDM4C
SCHEMBL3700306 0.84 GAA (0.36) GAAKMT2ASMN1; SMN2RAB9ANOD1
SCHEMBL732340 0.83 PTGDR2 (0.34) SCN9AKDM4CPREP
SCHEMBL732341 0.83 PTGDR2 (0.34) SCN9AKDM4CPREP
SCHEMBL734032 0.82 SCN9A (0.36) GAAKMT2ASMN1; SMN2RAB9ANOD1

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 GAA 1669/4885KMT2A 2156/4885SMN1; SMN2 4457/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 GAA 1669/4885KMT2A 2156/4885SMN1; SMN2 4457/4885

“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.