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SCHEMBL732135

SCHEMBL732135

COc1ccc(S(=O)(=O)c2cc(C(F)(F)F)cc(S(=O)(=O)N(C)C3CCCc4c3cnn4CCC(=O)O)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 5/20 0.37
▸ PTGDR Q13258 4/20 0.37
▸ HCRTR1 O43613 2/20 0.36
▸ HCRTR2 O43614 2/20 0.36
▸ TAS2R14 Q9NYV8 1/20 0.36
▸ HTR2A P28223 3/20 0.35
▸ HTR2C P28335 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HTR7 P34969 2/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ TBXA2R P21731 3/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34

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
SCHEMBL732134 1.00 PTGDR2 (0.37) PTGDR2PTGDRHCRTR1HCRTR2TAS2R14
SCHEMBL734162 0.93 HCRTR1 (0.37) PTGDR2PTGDRHCRTR1HCRTR2TAS2R14
SCHEMBL734163 0.93 HCRTR1 (0.37) PTGDR2PTGDRHCRTR1HCRTR2TAS2R14
SCHEMBL731846 0.92 PTGDR2 (0.35) PTGDR2PTGDRHTR2AHTR2CALDH1A1
SCHEMBL734496 0.92 PTGDR2 (0.41) PTGDR2PTGDRTBXA2RCYP3A4CYP2C9
SCHEMBL731845 0.92 PTGDR2 (0.35) PTGDR2PTGDRHTR2AHTR2CALDH1A1
SCHEMBL734495 0.92 PTGDR2 (0.41) PTGDR2PTGDRTBXA2RCYP3A4CYP2C9
SCHEMBL732764 0.91 PTGDR2 (0.35) PTGDR2PTGDRHTR2AHTR2CL3MBTL1
SCHEMBL732765 0.91 PTGDR2 (0.35) PTGDR2PTGDRHTR2AHTR2CL3MBTL1
SCHEMBL702760 0.88 L3MBTL1 (0.38) PTGDR2PTGDRHTR2AHTR2CL3MBTL1

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 PTGDR2 16/4885PTGDR 12/4885HCRTR1 351/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 PTGDR2 16/4885PTGDR 12/4885HCRTR1 351/4885

“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.