Sugi Predict

Sugi Predict / Compounds / SCHEMBL752685

SCHEMBL752685

SCHEMBL752685

CCOC(=O)Cn1ncc2c1CCCC2NS(=O)(=O)c1cccc(-c2ccc(OC)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ DCK P27707 1/20 0.39
▸ KCNA5 P22460 1/20 0.39
▸ NOD2 Q9HC29 2/20 0.38
▸ NOD1 Q9Y239 2/20 0.38
▸ TNF P01375 1/20 0.38
▸ F2 P00734 3/20 0.37
▸ F10 P00742 3/20 0.37
▸ PLG P00747 2/20 0.37
▸ ST14 Q9Y5Y6 2/20 0.37
▸ MMP1 P03956 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ MMP7 P09237 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ POLB P06746 2/20 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
SCHEMBL751710 0.92 KCNA5 (0.45) ALDH1A1TP53HPGDKCNA5F2
SCHEMBL732620 0.92 ALDH1A1 (0.44) ALDH1A1TP53HPGDKCNA5NOD2
SCHEMBL733853 0.91 DCK (0.42) ALDH1A1TP53HPGDDCKKCNA5
SCHEMBL750756 0.90 ALDH1A1 (0.45) ALDH1A1TP53HPGDKCNA5F10
SCHEMBL753892 0.88 ALDH1A1 (0.44) ALDH1A1TP53HPGDKCNA5NOD2
SCHEMBL753010 0.88 ALDH1A1 (0.45) ALDH1A1TP53HPGDKCNA5NOD1
SCHEMBL701668 0.87 ALDH1A1 (0.48) ALDH1A1TP53HPGDKCNA5NOD2
SCHEMBL753638 0.87 ALDH1A1 (0.49) ALDH1A1TP53HPGDKCNA5NOD2
SCHEMBL14864214 0.87 ALDH1A1 (0.49) ALDH1A1TP53HPGDNOD1TNF
SCHEMBL751712 0.87 ALDH1A1 (0.45) ALDH1A1TP53HPGDKCNA5NOD1

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 ALDH1A1 507/4885TP53 4252/4885HPGD 126/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 ALDH1A1 507/4885TP53 4252/4885HPGD 126/4885

“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.