SCHEMBL733221

SCHEMBL733221

COC(=O)CCn1ncc2c1CCCC2N(C)S(=O)(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)c2ccc(F)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.37
TBXA2R P21731 4/20 0.37
PTGDR Q13258 4/20 0.37
GPBAR1 Q8TDU6 2/20 0.35
TRPA1 O75762 1/20 0.35
RORC P51449 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NAMPT P43490 1/20 0.33
CYP2C9 P11712 1/20 0.33
KCNH2 Q12809 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
CETP P11597 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
HTR6 P50406 1/20 0.33

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
SCHEMBL733220 1.00 PTGDR2 (0.37) PTGDR2TBXA2RPTGDRGPBAR1TRPA1
SCHEMBL733953 0.94 DHODH (0.33) PTGDR2TBXA2RPTGDRGPBAR1RORC
SCHEMBL733954 0.94 DHODH (0.33) PTGDR2TBXA2RPTGDRGPBAR1RORC
SCHEMBL734163 0.93 HCRTR1 (0.37) PTGDR2PTGDRL3MBTL1CYP2C9HTR2A
SCHEMBL734162 0.93 HCRTR1 (0.37) PTGDR2PTGDRL3MBTL1CYP2C9HTR2A
SCHEMBL732820 0.93 CETP (0.35) PTGDR2TBXA2RPTGDRL3MBTL1NAMPT
SCHEMBL732819 0.93 CETP (0.35) PTGDR2TBXA2RPTGDRL3MBTL1NAMPT
SCHEMBL734496 0.92 PTGDR2 (0.41) PTGDR2TBXA2RPTGDRTRPA1RORC
SCHEMBL734495 0.92 PTGDR2 (0.41) PTGDR2TBXA2RPTGDRTRPA1RORC
SCHEMBL732963 0.91 CETP (0.35) PTGDR2TBXA2RPTGDRGPBAR1NAMPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 16/4885TBXA2R 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.