SCHEMBL752695

SCHEMBL752695

CCOC(=O)Cn1ncc2c1CCCC2NS(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
PTGS2 P35354 1/20 0.42
GAA P10253 2/20 0.40
POLB P06746 4/20 0.40
TRPM2 O94759 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NOD1 Q9Y239 2/20 0.37
NOD2 Q9HC29 1/20 0.37
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
DHODH Q02127 1/20 0.36
RB1 P06400 1/20 0.36
PKM P14618 1/20 0.36
NR2F2 P24468 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
SCHEMBL753638 0.92 ALDH1A1 (0.49) ALDH1A1TP53HPGDGAAPOLB
SCHEMBL750699 0.91 ALDH1A1 (0.45) ALDH1A1TP53HPGDPOLBMEN1
SCHEMBL732620 0.91 ALDH1A1 (0.44) ALDH1A1TP53HPGDPOLBNOD1
SCHEMBL752972 0.91 POLB (0.46) ALDH1A1TP53HPGDGAAPOLB
SCHEMBL751389 0.91 ALDH1A1 (0.46) ALDH1A1TP53HPGDPOLBTRPM2
SCHEMBL751375 0.90 ALDH1A1 (0.43) ALDH1A1TP53HPGDPOLBTRPM2
SCHEMBL753036 0.89 TRPM2 (0.44) ALDH1A1TP53HPGDPTGS2POLB
SCHEMBL731921 0.89 ALDH1A1 (0.46) ALDH1A1TP53HPGDPOLBMEN1
SCHEMBL751370 0.88 ALDH1A1 (0.44) ALDH1A1TP53HPGDPOLBMEN1
SCHEMBL751366 0.88 ALDH1A1 (0.49) ALDH1A1TP53HPGDPOLBMEN1

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-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

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.