SCHEMBL732844

SCHEMBL732844

CCOC(=O)Cn1ncc2c1CCC[C@H]2NCS(=O)(=O)c1cc(Sc2ccc(Cl)cc2)cc(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM2 O94759 1/20 0.36
CNR1 P21554 1/20 0.35
DHODH Q02127 4/20 0.35
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BTK Q06187 2/20 0.31
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
DDR1 Q08345 2/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
CETP P11597 1/20 0.31
MAPT P10636 1/20 0.31
TNF P01375 1/20 0.30
NOD2 Q9HC29 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
SCHEMBL732463 0.90 TRPM2 (0.37) TRPM2CNR1DHODHCYP11B1CYP11B2
SCHEMBL732464 0.90 TRPM2 (0.37) TRPM2CNR1DHODHCYP11B1CYP11B2
SCHEMBL753069 0.84 TRPM2 (0.36) TRPM2CNR1DHODHCYP11B1CYP11B2
SCHEMBL732141 0.80 DHODH (0.35) CNR1DHODHTNFNOD2NOD1
SCHEMBL732140 0.80 DHODH (0.35) CNR1DHODHTNFNOD2NOD1
SCHEMBL700743 0.79 ALDH1A1 (0.39) TRPM2DHODHCYP11B1CYP11B2KMT2A
SCHEMBL700435 0.78 ALDH1A1 (0.41) TRPM2DHODHCYP11B1CYP11B2BTK
SCHEMBL700436 0.78 ALDH1A1 (0.41) TRPM2DHODHCYP11B1CYP11B2BTK
SCHEMBL703746 0.78 ALDH1A1 (0.43) TRPM2DHODHCYP11B1CYP11B2KMT2A
SCHEMBL701377 0.78 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307383-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2012-05-16 EP 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 (1 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-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.