SCHEMBL732971

SCHEMBL732971

CCOC(=O)Cn1ncc2c1CCCC2N(C)S(=O)(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM2 O94759 1/20 0.38
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
PTGS2 P35354 1/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
USP2 O75604 1/20 0.32
DHODH Q02127 1/20 0.32
TBXA2R P21731 2/20 0.31
PTGDR Q13258 2/20 0.31
PTGDR2 Q9Y5Y4 2/20 0.31
STAT3 P40763 1/20 0.31
BTK Q06187 2/20 0.31
POLB P06746 1/20 0.31
CACNA1B Q00975 1/20 0.30

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
SCHEMBL732970 1.00 TRPM2 (0.38) TRPM2CYP11B1CYP11B2ALDH1A1MAPT
SCHEMBL732583 0.94 TRPM2 (0.37) TRPM2CYP11B1CYP11B2ALDH1A1MAPT
SCHEMBL732465 0.94 TRPM2 (0.37) TRPM2CYP11B1CYP11B2ALDH1A1MAPT
SCHEMBL700526 0.92 TRPM2 (0.41) TRPM2CYP11B1CYP11B2ALDH1A1MAPT
SCHEMBL700527 0.92 TRPM2 (0.41) TRPM2CYP11B1CYP11B2ALDH1A1MAPT
SCHEMBL732564 0.91 PTGDR2 (0.36) ALDH1A1L3MBTL1USP2DHODHTBXA2R
SCHEMBL732565 0.91 PTGDR2 (0.36) ALDH1A1L3MBTL1USP2DHODHTBXA2R
SCHEMBL702703 0.90 TRPM2 (0.39) TRPM2CYP11B1CYP11B2ALDH1A1MAPT
SCHEMBL702704 0.90 TRPM2 (0.39) TRPM2CYP11B1CYP11B2ALDH1A1MAPT
SCHEMBL701619 0.90 TRPM2 (0.39) TRPM2CYP11B1CYP11B2ALDH1A1MAPT

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 TRPM2 1493/4885CYP11B1 629/4885CYP11B2 377/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 TRPM2 1493/4885CYP11B1 629/4885CYP11B2 377/4885

“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.