SCHEMBL701693

SCHEMBL701693

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

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TRPM2 O94759 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
PTGS2 P35354 1/20 0.31
KMT2A Q03164 3/20 0.30
TSHR P16473 2/20 0.30
MAPK1 P28482 2/20 0.30
GAA P10253 1/20 0.30
HSP90AA1 P07900 1/20 0.30
LMNA P02545 2/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 2/20 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
SCHEMBL701692 1.00 ALDH1A1 (0.33) ALDH1A1MAPTL3MBTL1SMN1; SMN2TRPM2
SCHEMBL701342 0.92 TRPM2 (0.38) ALDH1A1MAPTL3MBTL1TRPM2HPGD
SCHEMBL701341 0.92 TRPM2 (0.38) ALDH1A1MAPTL3MBTL1TRPM2HPGD
SCHEMBL702825 0.88 PTGDR2 (0.33)
SCHEMBL702826 0.88 PTGDR2 (0.33)
SCHEMBL704152 0.88 CYP2C9 (0.35) ALDH1A1MAPTL3MBTL1SMN1; SMN2TRPM2
SCHEMBL704151 0.88 CYP2C9 (0.35) ALDH1A1MAPTL3MBTL1SMN1; SMN2TRPM2
SCHEMBL750631 0.87 SMN1; SMN2 (0.41) ALDH1A1L3MBTL1SMN1; SMN2KDM4ETP53
SCHEMBL751212 0.87 KMT2A (0.35) ALDH1A1MAPTL3MBTL1SMN1; SMN2KMT2A
SCHEMBL700527 0.87 TRPM2 (0.41) ALDH1A1MAPTL3MBTL1SMN1; SMN2TRPM2

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 ALDH1A1 317/4885MAPT 4488/4885L3MBTL1 4710/4885
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 ALDH1A1 317/4885MAPT 4488/4885L3MBTL1 4710/4885

“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.