SCHEMBL734022

SCHEMBL734022

CCOC(=O)Cn1ncc2c1CCCC2NS(=O)(=O)c1cnc(Oc2cccc(Cl)c2)c(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.38
DHODH Q02127 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
HTR1A P08908 3/20 0.33
HTR7 P34969 3/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
NOD1 Q9Y239 2/20 0.33
ADRB3 P13945 1/20 0.33
KCNA5 P22460 1/20 0.33
NOD2 Q9HC29 1/20 0.33
POLB P06746 1/20 0.32
NPC1 O15118 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
SCHEMBL732561 0.92 ALDH1A1 (0.39) ALDH1A1TP53HPGDDHODHKMT2A
SCHEMBL734365 0.92 ALDH1A1 (0.39) ALDH1A1TP53HPGDDHODHKMT2A
SCHEMBL4572450 0.92 ALDH1A1 (0.39) ALDH1A1TP53HPGDHTTDHODH
SCHEMBL733719 0.91 HTR1A (0.36) ALDH1A1HTTDHODHHTR1AHTR7
SCHEMBL2619331 0.90 TP53 (0.38) ALDH1A1TP53HPGDDHODHKMT2A
SCHEMBL751146 0.90 TP53 (0.38) ALDH1A1TP53HPGDDHODHKMT2A
SCHEMBL734277 0.89 ALDH1A1 (0.40) ALDH1A1TP53HPGDDHODHKMT2A
SCHEMBL731927 0.89 HPGD (0.41) ALDH1A1TP53HPGDHTTDHODH
SCHEMBL731929 0.89 HPGD (0.41) ALDH1A1TP53HPGDHTTDHODH
SCHEMBL733189 0.88 ALDH1A1 (0.40) ALDH1A1TP53HPGDDHODHKMT2A

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 13 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-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-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-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
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 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.