SCHEMBL731929

SCHEMBL731929

CCOC(=O)Cn1ncc2c1CCCC2NS(=O)(=O)c1cnc(Oc2ccccc2Cl)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 5/20 0.37
DHODH Q02127 5/20 0.34
NOD2 Q9HC29 1/20 0.33
NOD1 Q9Y239 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
SCN9A Q15858 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 2/20 0.32
KDM4C Q9H3R0 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NLRP3 Q96P20 1/20 0.32
HTT P42858 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL731927 1.00 HPGD (0.41) HPGDALDH1A1TP53KMT2ADHODH
SCHEMBL732243 0.91 KDM4C (0.35) HPGDALDH1A1TP53KMT2ADHODH
SCHEMBL732245 0.91 KDM4C (0.35) HPGDALDH1A1TP53KMT2ADHODH
SCHEMBL732561 0.89 ALDH1A1 (0.39) HPGDALDH1A1TP53KMT2ADHODH
SCHEMBL734365 0.89 ALDH1A1 (0.39) HPGDALDH1A1TP53KMT2ADHODH
SCHEMBL734022 0.89 ALDH1A1 (0.39) HPGDALDH1A1TP53KMT2ADHODH
SCHEMBL703825 0.88 ALDH1A1 (0.41) HPGDALDH1A1TP53KMT2ADHODH
SCHEMBL732130 0.88 S100A9 (0.34) HPGDALDH1A1TP53KMT2ADHODH
SCHEMBL732128 0.88 S100A9 (0.34) HPGDALDH1A1TP53KMT2ADHODH
SCHEMBL733302 0.88 ALDH1A1 (0.39) HPGDALDH1A1TP53KMT2ADHODH

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

“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.