SCHEMBL732287

SCHEMBL732287

O=C(O)Cn1ncc2c1CCCC2NS(=O)(=O)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
F10 P00742 2/20 0.40
CYP1A2 P05177 1/20 0.39
HPGD P15428 3/20 0.39
TP53 P04637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
STAT3 P40763 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4C Q9H3R0 2/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.37
KCNA5 P22460 1/20 0.36
AKR1C3 P42330 1/20 0.36

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
SCHEMBL732090 0.92 MMP2 (0.46) ALDH1A1L3MBTL1MEN1KMT2AF10
SCHEMBL735288 0.90 ALDH1A1 (0.48) ALDH1A1L3MBTL1MEN1KMT2ACYP1A2
SCHEMBL734043 0.89 MMP2 (0.44) F10CYP1A2HTTLMNASMN1; SMN2
SCHEMBL751192 0.89 CYP1A2 (0.48) ALDH1A1L3MBTL1MEN1KMT2AF10
SCHEMBL731822 0.88 DHODH (0.38) ALDH1A1L3MBTL1MEN1KMT2AF10
SCHEMBL704658 0.86 ALDH1A1 (0.40) ALDH1A1L3MBTL1MEN1KMT2AF10
SCHEMBL733011 0.86 KEAP1 (0.44) ALDH1A1L3MBTL1MEN1KMT2ACYP1A2
SCHEMBL732351 0.85 MMP2 (0.53) F10CYP1A2MMP2MMP9MMP13
SCHEMBL733853 0.84 DCK (0.42) ALDH1A1L3MBTL1F10HPGDTP53
SCHEMBL732994 0.83 KCNA5 (0.43) ALDH1A1L3MBTL1MEN1KMT2ACYP1A2

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 23 patents — showing the first 20. 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
JP-2011528004-A 2011-11-10 JP claimed
EP-2307383-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP claimed
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US claimed
WO-2010006944-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 WO claimed
US-8420675-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2013-04-16 US disclosed
US-8420675-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2013-04-16 US disclosed
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
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-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
EP-2307383-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP disclosed
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US disclosed
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US disclosed
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US disclosed
WO-2010006944-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 WO disclosed
WO-2010006944-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 WO 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 ALDH1A1 507/4885L3MBTL1 4779/4885MEN1 4375/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 ALDH1A1 507/4885L3MBTL1 4779/4885MEN1 4375/4885

“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.