Sugi Predict

Sugi Predict / Compounds / SCHEMBL752705

SCHEMBL752705

SCHEMBL752705

CCOC(=O)Cn1ncc2c1CCCC2NS(=O)(=O)c1ccc(-c2cccc(C#N)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ADAMTS4 O75173 1/20 0.39
▸ CYP11B1 P15538 3/20 0.38
▸ CYP11B2 P19099 3/20 0.38
▸ HRH2 P25021 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ KCNA5 P22460 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ P4HB P07237 1/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ TLR8 Q9NR97 1/20 0.36
▸ TLR7 Q9NYK1 1/20 0.36
▸ F2R P25116 1/20 0.36
▸ CCR6 P51684 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ GALR3 O60755 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35

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
SCHEMBL753010 0.89 ALDH1A1 (0.45) ALDH1A1TP53HPGDADAMTS4KCNA5
SCHEMBL732767 0.89 ADAMTS4 (0.42) ALDH1A1HPGDADAMTS4CYP11B1CYP11B2
SCHEMBL753638 0.89 ALDH1A1 (0.49) ALDH1A1TP53HPGDKCNA5POLB
SCHEMBL750756 0.89 ALDH1A1 (0.45) ALDH1A1TP53HPGDKCNA5POLB
SCHEMBL751712 0.89 ALDH1A1 (0.45) ALDH1A1TP53HPGDKCNA5POLB
SCHEMBL753892 0.88 ALDH1A1 (0.44) ALDH1A1TP53HPGDKCNA5POLB
SCHEMBL751710 0.88 KCNA5 (0.45) ALDH1A1TP53HPGDKCNA5POLB
SCHEMBL750755 0.88 ALDH1A1 (0.44) ALDH1A1TP53HPGDKCNA5DHODH
SCHEMBL751748 0.88 ALDH1A1 (0.46) ALDH1A1TP53HPGDKCNA5POLB
SCHEMBL753909 0.87 ALDH1A1 (0.44) ALDH1A1TP53HPGDKCNA5POLB

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.