SCHEMBL704152

SCHEMBL704152

CCOC(=O)Cn1ncc2c1CCCC2N(C)S(=O)(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TRPM2 O94759 1/20 0.34
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TNF P01375 1/20 0.31
POLB P06746 1/20 0.31
NR2F2 P24468 1/20 0.31
NOD1 Q9Y239 1/20 0.31
TP53 P04637 1/20 0.30
HPGD P15428 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
SCHEMBL704151 1.00 CYP2C9 (0.35) CYP2C9CYP2C19TRPM2ALDH1A1MAPT
SCHEMBL700526 0.92 TRPM2 (0.41) TRPM2ALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL700527 0.92 TRPM2 (0.41) TRPM2ALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL702552 0.91 TRPM2 (0.39) TRPM2ALDH1A1MAPTL3MBTL1HPGD
SCHEMBL702553 0.91 TRPM2 (0.39) TRPM2ALDH1A1MAPTL3MBTL1HPGD
SCHEMBL702904 0.88 PTGDR2 (0.32) CYP2C9TNFPOLBNR2F2NOD1
SCHEMBL702905 0.88 PTGDR2 (0.32) CYP2C9TNFPOLBNR2F2NOD1
SCHEMBL700338 0.88 TRPM2 (0.38) TRPM2ALDH1A1MAPTL3MBTL1
SCHEMBL700340 0.88 TRPM2 (0.38) TRPM2ALDH1A1MAPTL3MBTL1
SCHEMBL701692 0.88 ALDH1A1 (0.33) TRPM2ALDH1A1MAPTMEN1KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124641-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US claimed
EP-2307382-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2011-12-21 EP claimed
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US claimed
US-8268870-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-09-18 US disclosed
US-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI (CN) 2012-04-19 US disclosed
US-8124641-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
EP-2307382-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2011-12-21 EP disclosed
US-20100016368-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-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 CYP2C9 1216/4885CYP2C19 701/4885TRPM2 1670/4885
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 CYP2C9 1216/4885CYP2C19 701/4885TRPM2 1670/4885

“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.