SCHEMBL753892

SCHEMBL753892

CCOC(=O)Cn1ncc2c1CCCC2NS(=O)(=O)c1ccc(-c2cccc(OCC)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
MMP2 P08253 1/20 0.39
POLB P06746 2/20 0.39
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
KCNA5 P22460 1/20 0.39
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
HTR1A P08908 3/20 0.38
HTR7 P34969 3/20 0.38
CTPS1 P17812 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
MAPT P10636 1/20 0.36
DHODH Q02127 1/20 0.36

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
SCHEMBL751710 0.94 KCNA5 (0.45) ALDH1A1TP53HPGDMMP2POLB
SCHEMBL752717 0.92 ALDH1A1 (0.43) ALDH1A1TP53HPGDMMP2POLB
SCHEMBL733774 0.92 MMP2 (0.42) ALDH1A1TP53HPGDMMP2NOD2
SCHEMBL752972 0.92 POLB (0.46) ALDH1A1TP53HPGDPOLBNOD2
SCHEMBL752711 0.91 ALDH1A1 (0.42) ALDH1A1TP53HPGDMMP2POLB
SCHEMBL753010 0.91 ALDH1A1 (0.45) ALDH1A1TP53HPGDPOLBNOD1
SCHEMBL753638 0.90 ALDH1A1 (0.49) ALDH1A1TP53HPGDPOLBNOD2
SCHEMBL751712 0.90 ALDH1A1 (0.45) ALDH1A1TP53HPGDPOLBNOD1
SCHEMBL750756 0.90 ALDH1A1 (0.45) ALDH1A1TP53HPGDPOLBKCNA5
SCHEMBL750755 0.89 ALDH1A1 (0.44) ALDH1A1TP53HPGDKCNA5F2

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 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.