SCHEMBL733809

SCHEMBL733809

O=C(O)Cn1ncc2c1CCCC2NS(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.42
TBXA2R P21731 8/20 0.42
PTGDR Q13258 3/20 0.42
CYP1A2 P05177 1/20 0.41
RB1 P06400 1/20 0.39
ABCB11 O95342 1/20 0.38
CYP2C9 P11712 1/20 0.38
DRD1 P21728 1/20 0.38
CCKAR P32238 1/20 0.38
DHODH Q02127 1/20 0.38
UCHL1 P09936 1/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL731817 0.92 CYP1A2 (0.47) PTGDR2TBXA2RPTGDRCYP1A2DHODH
SCHEMBL731815 0.92 CYP1A2 (0.47) PTGDR2TBXA2RPTGDRCYP1A2DHODH
SCHEMBL733721 0.90 MMP2 (0.43) TBXA2RCYP1A2ALDH1A1L3MBTL1
SCHEMBL733257 0.89 CYP11B1 (0.41) PTGDR2CYP1A2DHODHALDH1A1L3MBTL1
SCHEMBL751192 0.88 CYP1A2 (0.48) TBXA2RCYP1A2DHODHALDH1A1L3MBTL1
SCHEMBL733427 0.88 MMP2 (0.43) PTGDRCYP1A2ALDH1A1
SCHEMBL733801 0.88 KMT2A (0.41) CYP1A2DHODHALDH1A1L3MBTL1
SCHEMBL752695 0.87 ALDH1A1 (0.45) CYP1A2RB1DHODHALDH1A1
SCHEMBL734424 0.87 CYP1A2 (0.38) PTGDRCYP1A2DHODHALDH1A1L3MBTL1
SCHEMBL732189 0.87 F10 (0.46) CYP1A2ALDH1A1L3MBTL1

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 21 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
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-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-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

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 PTGDR2 16/4885TBXA2R 6/4885PTGDR 12/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 PTGDR2 16/4885TBXA2R 6/4885PTGDR 12/4885

“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.