SCHEMBL732108

SCHEMBL732108

O=C(O)Cn1ncc2c1CCCC2NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.41
ABL1 P00519 1/20 0.37
SCN9A Q15858 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
HIF1A Q16665 1/20 0.35

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
SCHEMBL732107 1.00 KDM4C (0.41) KDM4CABL1SCN9APTGDR2HIF1A
SCHEMBL734320 0.90 ALDH1A1 (0.40) KDM4CABL1SCN9A
SCHEMBL734319 0.90 ALDH1A1 (0.40) KDM4CABL1SCN9A
SCHEMBL732852 0.90 MMP2 (0.41)
SCHEMBL732853 0.90 MMP2 (0.41)
SCHEMBL732248 0.89 KDM4C (0.40) KDM4CABL1SCN9APTGDR2HIF1A
SCHEMBL732611 0.85 ALDH1A1 (0.40) KDM4CSCN9A
SCHEMBL732175 0.85 ALDH1A1 (0.40) KDM4CSCN9A
SCHEMBL701250 0.85 KMO (0.39) PTGDR2
SCHEMBL732679 0.84 GAA (0.35) KDM4CSCN9A

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 KDM4C 4231/4885ABL1 1588/4885SCN9A 2017/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 KDM4C 4231/4885ABL1 1588/4885SCN9A 2017/4885

“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.