SCHEMBL751748

SCHEMBL751748

CCOC(=O)Cn1ncc2c1CCC[C@H]2NS(=O)(=O)c1ccc(-c2cccc([Si](C)(C)C)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
TP53 P04637 1/20 0.46
DHODH Q02127 1/20 0.38
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
GALR3 O60755 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KCNA5 P22460 2/20 0.35
HTT P42858 2/20 0.35
MAPK1 P28482 1/20 0.35
STAT3 P40763 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 2/20 0.35
F10 P00742 1/20 0.35
CYP1A2 P05177 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL753010 0.91 ALDH1A1 (0.45) ALDH1A1HPGDTP53DHODHRAB9A
SCHEMBL753638 0.90 ALDH1A1 (0.49) ALDH1A1HPGDTP53RAB9ANPC1
SCHEMBL751712 0.90 ALDH1A1 (0.45) ALDH1A1HPGDTP53DHODHRAB9A
SCHEMBL750756 0.90 ALDH1A1 (0.45) ALDH1A1HPGDTP53DHODHRAB9A
SCHEMBL733207 0.90 CYP1A2 (0.39) ALDH1A1HPGDTP53RAB9ANPC1
SCHEMBL733209 0.90 CYP1A2 (0.39) ALDH1A1HPGDTP53RAB9ANPC1
SCHEMBL751710 0.89 KCNA5 (0.45) ALDH1A1HPGDTP53DHODHLMNA
SCHEMBL753892 0.89 ALDH1A1 (0.44) ALDH1A1HPGDTP53DHODHMAPT
SCHEMBL750755 0.89 ALDH1A1 (0.44) ALDH1A1HPGDTP53DHODHRAB9A
SCHEMBL753909 0.89 ALDH1A1 (0.44) ALDH1A1HPGDTP53DHODHRAB9A

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
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-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 507/4885HPGD 126/4885TP53 4252/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 ALDH1A1 507/4885HPGD 126/4885TP53 4252/4885

“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.