Sugi Predict

Sugi Predict / Compounds / SCHEMBL702629

SCHEMBL702629

SCHEMBL702629

CCOC(=O)Cn1ncc2c1CCCC2N(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPM2 O94759 1/20 0.41
▸ CYP11B1 P15538 2/20 0.38
▸ CYP11B2 P19099 2/20 0.38
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ CRHR1 P34998 3/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ RECQL P46063 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ BTK Q06187 4/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ TRPV4 Q9HBA0 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ GAA P10253 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
SCHEMBL702628 1.00 TRPM2 (0.41) TRPM2CYP11B1CYP11B2HCRTR1HCRTR2
SCHEMBL703978 0.90 CRHR1 (0.39) HCRTR1HCRTR2CRHR1BTKTRPV4
SCHEMBL703979 0.90 CRHR1 (0.39) HCRTR1HCRTR2CRHR1BTKTRPV4
SCHEMBL702911 0.88 HCRTR1 (0.35) TRPM2HCRTR1HCRTR2L3MBTL1SMN1; SMN2
SCHEMBL702910 0.88 HCRTR1 (0.35) TRPM2HCRTR1HCRTR2L3MBTL1SMN1; SMN2
SCHEMBL13513389 0.88 HTT (0.33) TRPM2SMN1; SMN2ALDH1A1
SCHEMBL700526 0.86 TRPM2 (0.41) TRPM2CYP11B1CYP11B2L3MBTL1SMN1; SMN2
SCHEMBL700527 0.86 TRPM2 (0.41) TRPM2CYP11B1CYP11B2L3MBTL1SMN1; SMN2
SCHEMBL734613 0.85 HTT (0.34) SMN1; SMN2ALDH1A1CNR1GAA
SCHEMBL734614 0.85 HTT (0.34) SMN1; SMN2ALDH1A1CNR1GAA

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 TRPM2 1670/4885CYP11B1 551/4885CYP11B2 334/4885
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 TRPM2 1670/4885CYP11B1 551/4885CYP11B2 334/4885

“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.