SCHEMBL751192

SCHEMBL751192

O=C(O)Cn1ncc2c1CCCC2NS(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
DHODH Q02127 3/20 0.41
USP2 O75604 1/20 0.40
F2 P00734 4/20 0.40
PRSS1 P07477 4/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HPGD P15428 2/20 0.40
KCNA5 P22460 1/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TBXA2R P21731 2/20 0.39
LMNA P02545 1/20 0.39
STAT3 P40763 1/20 0.39

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
SCHEMBL731817 0.94 CYP1A2 (0.47) CYP1A2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL731815 0.94 CYP1A2 (0.47) CYP1A2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL732090 0.91 MMP2 (0.46) CYP1A2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL733011 0.91 KEAP1 (0.44) CYP1A2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL704658 0.89 ALDH1A1 (0.40) CYP1A2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL732287 0.89 ALDH1A1 (0.41) CYP1A2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL733809 0.88 PTGDR2 (0.42) CYP1A2ALDH1A1L3MBTL1DHODHTBXA2R
SCHEMBL733721 0.88 MMP2 (0.43) CYP1A2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL732263 0.88 CYP1A2 (0.43) CYP1A2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL751366 0.87 ALDH1A1 (0.49) CYP1A2ALDH1A1L3MBTL1MEN1KMT2A

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 8 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-8268870-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-09-18 US disclosed
US-20120101131-A1 Aminotetrahydroindazoloacetic Acids CHEN LI (CN) 2012-04-26 US disclosed
US-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI (CN) 2012-04-19 US disclosed
US-8138208-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-03-20 US disclosed
US-8124641-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
US-20100016368-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 (4 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-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 CYP1A2 399/4885ALDH1A1 317/4885L3MBTL1 4710/4885
US-20120101131-A1 Aminotetrahydroindazoloacetic Acids HRH2, HRH1, HRH4 CYP1A2 409/4885ALDH1A1 507/4885L3MBTL1 4779/4885
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 CYP1A2 399/4885ALDH1A1 317/4885L3MBTL1 4710/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 CYP1A2 409/4885ALDH1A1 507/4885L3MBTL1 4779/4885

“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.