SCHEMBL734320

SCHEMBL734320

CCOC(=O)Cn1ncc2c1CCCC2NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
KDM4C Q9H3R0 1/20 0.38
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36
ABL1 P00519 1/20 0.35
DHODH Q02127 2/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
NLRP3 Q96P20 1/20 0.33
SCN9A Q15858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL734319 1.00 ALDH1A1 (0.40) ALDH1A1TP53HPGDKDM4CNOD2
SCHEMBL732501 0.90 ALDH1A1 (0.44) ALDH1A1TP53HPGDNOD2NOD1
SCHEMBL732502 0.90 ALDH1A1 (0.44) ALDH1A1TP53HPGDNOD2NOD1
SCHEMBL732107 0.90 KDM4C (0.41) KDM4CABL1SCN9A
SCHEMBL732108 0.90 KDM4C (0.41) KDM4CABL1SCN9A
SCHEMBL701541 0.87 ALDH1A1 (0.41) ALDH1A1TP53HPGDNOD1DHODH
SCHEMBL732078 0.87 ALDH1A1 (0.47) ALDH1A1TP53HPGDDHODHSCN9A
SCHEMBL732077 0.87 ALDH1A1 (0.47) ALDH1A1TP53HPGDDHODHSCN9A
SCHEMBL733782 0.85 SCN9A (0.37) ALDH1A1TP53HPGDNOD2NOD1
SCHEMBL733783 0.85 SCN9A (0.37) ALDH1A1TP53HPGDNOD2NOD1

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 5 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
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-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 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.