SCHEMBL753036

SCHEMBL753036

CCOC(=O)Cn1ncc2c1CCCC2NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPM2 O94759 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
BTK Q06187 4/20 0.37
PTGS2 P35354 1/20 0.37
DHODH Q02127 2/20 0.36
POLB P06746 2/20 0.35
CYP11B1 P15538 3/20 0.35
CYP11B2 P19099 3/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL731791 0.93 GRIN1 (0.43) TRPM2ALDH1A1TP53HPGDBTK
SCHEMBL731789 0.93 GRIN1 (0.43) TRPM2ALDH1A1TP53HPGDBTK
SCHEMBL703746 0.92 ALDH1A1 (0.43) TRPM2ALDH1A1TP53HPGDBTK
SCHEMBL703117 0.92 ALDH1A1 (0.43) TRPM2ALDH1A1TP53HPGDBTK
SCHEMBL750701 0.92 TP53 (0.43) TRPM2ALDH1A1TP53HPGDBTK
SCHEMBL751389 0.90 ALDH1A1 (0.46) TRPM2ALDH1A1TP53HPGDDHODH
SCHEMBL734424 0.89 CYP1A2 (0.38) ALDH1A1HPGDBTKDHODHNPC1
SCHEMBL752695 0.89 ALDH1A1 (0.45) TRPM2ALDH1A1TP53HPGDPTGS2
SCHEMBL753638 0.88 ALDH1A1 (0.49) ALDH1A1TP53HPGDPOLBNPC1
SCHEMBL700435 0.87 ALDH1A1 (0.41) TRPM2ALDH1A1TP53HPGDBTK

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 9 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-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-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 TRPM2 1493/4885ALDH1A1 507/4885TP53 4252/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 TRPM2 1493/4885ALDH1A1 507/4885TP53 4252/4885

“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.