SCHEMBL732584

SCHEMBL732584

O=C(O)CCn1ncc2c1CCCC2NS(=O)(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 2/20 0.45
PTGDR2 Q9Y5Y4 3/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TBXA2R P21731 4/20 0.40
PTGDR Q13258 3/20 0.40
KCNA5 P22460 1/20 0.40
PTGIR P43119 1/20 0.40
ABCB11 O95342 1/20 0.40
CYP2C9 P11712 1/20 0.40
DRD1 P21728 1/20 0.40
CCKAR P32238 1/20 0.40
MMP9 P14780 2/20 0.39
MMP13 P45452 2/20 0.39
MMP1 P03956 2/20 0.39
CHEK2 O96017 1/20 0.39
MMP8 P22894 1/20 0.39
ADAMTS4 O75173 1/20 0.39

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
SCHEMBL732692 1.00 CYP1A2 (0.46) CYP1A2L3MBTL1ALDH1A1PTGDR2MEN1
SCHEMBL734124 0.91 CYP1A2 (0.43) CYP1A2L3MBTL1ALDH1A1PTGDR2MEN1
SCHEMBL731815 0.90 CYP1A2 (0.47) CYP1A2L3MBTL1ALDH1A1PTGDR2MEN1
SCHEMBL731817 0.90 CYP1A2 (0.47) CYP1A2L3MBTL1ALDH1A1PTGDR2MEN1
SCHEMBL734356 0.89 ADAMTS7 (0.40) CYP1A2L3MBTL1ALDH1A1PTGDR2PTGDR
SCHEMBL734358 0.89 ADAMTS7 (0.40) CYP1A2L3MBTL1ALDH1A1PTGDR2PTGDR
SCHEMBL2133645 0.89 ALDH1A1 (0.44) CYP1A2L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL27832843 0.85 SFRP1 (0.41) L3MBTL1ALDH1A1PTGDR2HPGDTNF
SCHEMBL751192 0.84 CYP1A2 (0.48) CYP1A2L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL732189 0.83 F10 (0.46) CYP1A2L3MBTL1ALDH1A1MEN1KMT2A

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102099341-B Aminotetrahydroindazoloacetic acids HOFFMANN LA ROCHE 2013-07-10 CN claimed
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
CN-102099341-A Aminotetrahydroindazoloacetic acids HOFFMANN LA ROCHE 2011-06-15 CN 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
CN-102099341-B Aminotetrahydroindazoloacetic acids HOFFMANN LA ROCHE 2013-07-10 CN 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
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
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 CYP1A2 409/4885L3MBTL1 4779/4885ALDH1A1 507/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 CYP1A2 409/4885L3MBTL1 4779/4885ALDH1A1 507/4885

“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.