SCHEMBL732463

SCHEMBL732463

CCOC(=O)Cn1ncc2c1CCC[C@H]2NCS(=O)(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPM2 O94759 1/20 0.37
CNR1 P21554 1/20 0.37
DHODH Q02127 3/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
BTK Q06187 2/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
CETP P11597 1/20 0.32
NAMPT P43490 2/20 0.32
DDR1 Q08345 1/20 0.32
RHOC P08134 1/20 0.32
RHOA P61586 1/20 0.32

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
SCHEMBL732464 1.00 TRPM2 (0.37) TRPM2CNR1DHODHCYP11B1CYP11B2
SCHEMBL732844 0.90 TRPM2 (0.36) TRPM2CNR1DHODHCYP11B1CYP11B2
SCHEMBL732141 0.90 DHODH (0.35) CNR1DHODHPTGDR2NAMPTRHOC
SCHEMBL732140 0.90 DHODH (0.35) CNR1DHODHPTGDR2NAMPTRHOC
SCHEMBL732763 0.85 SFRP1 (0.35) DHODHBTKPTGDR2NAMPTRHOC
SCHEMBL732583 0.84 TRPM2 (0.37) TRPM2CNR1CYP11B1CYP11B2ALDH1A1
SCHEMBL732465 0.84 TRPM2 (0.37) TRPM2CNR1CYP11B1CYP11B2ALDH1A1
SCHEMBL700435 0.82 ALDH1A1 (0.41) TRPM2DHODHCYP11B1CYP11B2ALDH1A1
SCHEMBL700436 0.82 ALDH1A1 (0.41) TRPM2DHODHCYP11B1CYP11B2ALDH1A1
SCHEMBL701377 0.82 DHODH (0.35) DHODHCYP11B1CYP11B2BTK

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 1493/4885CNR1 206/4885DHODH 278/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 TRPM2 1493/4885CNR1 206/4885DHODH 278/4885

“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.