SCHEMBL751712

SCHEMBL751712

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 1/20 0.38
MMEL1 Q495T6 1/20 0.38
DHODH Q02127 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GALR3 O60755 1/20 0.36
KCNA5 P22460 2/20 0.36
HTT P42858 2/20 0.36
POLB P06746 1/20 0.35
F10 P00742 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 1/20 0.35
RORC P51449 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35

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
SCHEMBL750699 0.92 ALDH1A1 (0.45) ALDH1A1TP53HPGDMAPTSMN1; SMN2
SCHEMBL753010 0.91 ALDH1A1 (0.45) ALDH1A1TP53HPGDMAPTDHODH
SCHEMBL753638 0.91 ALDH1A1 (0.49) ALDH1A1TP53HPGDNPC1RAB9A
SCHEMBL750756 0.91 ALDH1A1 (0.45) ALDH1A1TP53HPGDDHODHNPC1
SCHEMBL751710 0.90 KCNA5 (0.45) ALDH1A1TP53HPGDMAPTDHODH
SCHEMBL750755 0.90 ALDH1A1 (0.44) ALDH1A1TP53HPGDMAPTDHODH
SCHEMBL751748 0.90 ALDH1A1 (0.46) ALDH1A1TP53HPGDMAPTDHODH
SCHEMBL753892 0.90 ALDH1A1 (0.44) ALDH1A1TP53HPGDMAPTDHODH
SCHEMBL751375 0.90 ALDH1A1 (0.43) ALDH1A1TP53HPGDDHODHNPC1
SCHEMBL734263 0.89 ALDH1A1 (0.44) ALDH1A1TP53HPGDDHODHRAB9A

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 10 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
EP-2307383-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2012-05-16 EP 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.