Sugi Predict

Sugi Predict / Compounds / SCHEMBL732687

SCHEMBL732687

SCHEMBL732687

CS(=O)(=O)c1cccc(-c2ccc(S(=O)(=O)NC3CCCc4c3cnn4CC(=O)O)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.39
▸ F10 P00742 6/20 0.38
▸ DCK P27707 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ KCNA5 P22460 1/20 0.36
▸ F2 P00734 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ STAT3 P40763 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CHEK2 O96017 1/20 0.36

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
SCHEMBL732685 1.00 CYP1A2 (0.39) CYP1A2F10DCKALDH1A1L3MBTL1
SCHEMBL704658 0.91 ALDH1A1 (0.40) CYP1A2F10ALDH1A1L3MBTL1MEN1
SCHEMBL731817 0.90 CYP1A2 (0.47) CYP1A2F10ALDH1A1L3MBTL1MEN1
SCHEMBL731815 0.90 CYP1A2 (0.47) CYP1A2F10ALDH1A1L3MBTL1MEN1
SCHEMBL734035 0.90 CYP1A2 (0.41) CYP1A2F10ALDH1A1L3MBTL1MEN1
SCHEMBL750756 0.90 ALDH1A1 (0.45) CYP1A2F10ALDH1A1PTGS2HSP90AA1
SCHEMBL732681 0.89 CYP1A2 (0.41) CYP1A2F10ALDH1A1L3MBTL1KMT2A
SCHEMBL733209 0.89 CYP1A2 (0.39) CYP1A2F10ALDH1A1L3MBTL1MEN1
SCHEMBL733207 0.89 CYP1A2 (0.39) CYP1A2F10ALDH1A1L3MBTL1MEN1
SCHEMBL733688 0.89 CYP1A2 (0.40) CYP1A2F10ALDH1A1L3MBTL1MEN1

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
EP-2307383-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2012-05-16 — — EP claimed
US-8138208-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-03-20 — — US claimed
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 — — US claimed
US-8420675-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2013-04-16 — — US disclosed
EP-2307383-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2012-05-16 — — EP 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-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 (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 CYP1A2 409/4885F10 736/4885DCK 2645/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 CYP1A2 409/4885F10 736/4885DCK 2645/4885

“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.