SCHEMBL751366

SCHEMBL751366

CCOC(=O)Cn1ncc2c1CCCC2NS(=O)(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
CYP1A2 P05177 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.39
KCNA5 P22460 2/20 0.39
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
HTT P42858 2/20 0.39
DHODH Q02127 2/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GALR3 O60755 1/20 0.38
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
STAT3 P40763 1/20 0.37

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
SCHEMBL753638 0.95 ALDH1A1 (0.49) ALDH1A1TP53HPGDCYP1A2SMN1; SMN2
SCHEMBL737839 0.93 ALDH1A1 (0.48) ALDH1A1TP53HPGDCYP1A2SMN1; SMN2
SCHEMBL753079 0.92 ALDH1A1 (0.47) ALDH1A1TP53HPGDCYP1A2KCNA5
SCHEMBL14864214 0.91 ALDH1A1 (0.49) ALDH1A1TP53HPGDSMN1; SMN2POLB
SCHEMBL731921 0.91 ALDH1A1 (0.46) ALDH1A1TP53HPGDCYP1A2POLB
SCHEMBL735288 0.91 ALDH1A1 (0.48) ALDH1A1TP53HPGDCYP1A2SMN1; SMN2
SCHEMBL704140 0.90 ALDH1A1 (0.48) ALDH1A1TP53HPGDSMN1; SMN2POLB
SCHEMBL701668 0.89 ALDH1A1 (0.48) ALDH1A1TP53HPGDSMN1; SMN2POLB
SCHEMBL701631 0.89 ALDH1A1 (0.46) ALDH1A1TP53HPGDPOLBNOD1
SCHEMBL4572431 0.89 ALDH1A1 (0.47) ALDH1A1TP53HPGDSMN1; SMN2POLB

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 ALDH1A1 317/4885TP53 4276/4885HPGD 208/4885
US-20120101131-A1 Aminotetrahydroindazoloacetic Acids HRH2, HRH1, HRH4 ALDH1A1 507/4885TP53 4252/4885HPGD 126/4885
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 ALDH1A1 317/4885TP53 4276/4885HPGD 208/4885
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.