Sugi Predict

Sugi Predict / Compounds / SCHEMBL750701

SCHEMBL750701

SCHEMBL750701

CCOC(=O)Cn1ncc2c1CCCC2NS(=O)(=O)c1cc(-c2ccccc2)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TRPM2 O94759 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ GRIN1 Q05586 2/20 0.37
▸ GRIN2B Q13224 2/20 0.37
▸ DHODH Q02127 4/20 0.36
▸ MAPK1 P28482 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ TLR9 Q9NR96 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ BCL2A1 Q16548 1/20 0.35
▸ NOD1 Q9Y239 2/20 0.35
▸ TNF P01375 1/20 0.35
▸ NOD2 Q9HC29 1/20 0.35
▸ BTK Q06187 2/20 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
SCHEMBL753036 0.92 TRPM2 (0.44) TP53HPGDALDH1A1TRPM2GRIN1
SCHEMBL703117 0.91 ALDH1A1 (0.43) TP53HPGDALDH1A1TRPM2DHODH
SCHEMBL703746 0.91 ALDH1A1 (0.43) TP53HPGDALDH1A1TRPM2DHODH
SCHEMBL733935 0.90 DHODH (0.39) HPGDALDH1A1SMN1; SMN2DHODHKMT2A
SCHEMBL750581 0.90 ALDH1A1 (0.42) TP53HPGDALDH1A1TRPM2SMN1; SMN2
SCHEMBL2619332 0.90 ALDH1A1 (0.42) TP53HPGDALDH1A1TRPM2SMN1; SMN2
SCHEMBL731789 0.90 GRIN1 (0.43) TP53HPGDALDH1A1TRPM2GRIN1
SCHEMBL731791 0.90 GRIN1 (0.43) TP53HPGDALDH1A1TRPM2GRIN1
SCHEMBL700435 0.88 ALDH1A1 (0.41) TP53HPGDALDH1A1TRPM2DHODH
SCHEMBL704294 0.88 ALDH1A1 (0.41) TP53HPGDALDH1A1TRPM2DHODH

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

“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.