SCHEMBL733953

SCHEMBL733953

COC(=O)CCn1ncc2c1CCC[C@H]2N(C)S(=O)(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.33
ALDH1A1 P00352 2/20 0.33
PKM P14618 2/20 0.33
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
USP2 O75604 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4C Q9H3R0 2/20 0.32
HSD17B10 Q99714 1/20 0.31
TBXA2R P21731 2/20 0.31
PTGDR Q13258 2/20 0.31
PTGDR2 Q9Y5Y4 2/20 0.31
MAPT P10636 1/20 0.31
RORC P51449 1/20 0.31
POLB P06746 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
BDKRB1 P46663 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
BTK Q06187 1/20 0.31

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
SCHEMBL733954 1.00 DHODH (0.33) DHODHALDH1A1PKMHTR2AHTR2C
SCHEMBL733220 0.94 PTGDR2 (0.37) ALDH1A1PKMHTR2AHTR2CL3MBTL1
SCHEMBL733221 0.94 PTGDR2 (0.37) ALDH1A1PKMHTR2AHTR2CL3MBTL1
SCHEMBL734162 0.93 HCRTR1 (0.37) ALDH1A1HTR2AHTR2CL3MBTL1PTGDR
SCHEMBL732820 0.93 CETP (0.35) ALDH1A1PKMHTR2AHTR2CL3MBTL1
SCHEMBL732819 0.93 CETP (0.35) ALDH1A1PKMHTR2AHTR2CL3MBTL1
SCHEMBL734163 0.93 HCRTR1 (0.37) ALDH1A1HTR2AHTR2CL3MBTL1PTGDR
SCHEMBL731845 0.92 PTGDR2 (0.35) DHODHALDH1A1HTR2AHTR2CUSP2
SCHEMBL731846 0.92 PTGDR2 (0.35) DHODHALDH1A1HTR2AHTR2CUSP2
SCHEMBL701470 0.91 HTR2A (0.33) ALDH1A1PKMHTR2AHTR2CL3MBTL1

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 14 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
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
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
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 DHODH 278/4885ALDH1A1 507/4885PKM 2905/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 DHODH 278/4885ALDH1A1 507/4885PKM 2905/4885

“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.