SCHEMBL752764

SCHEMBL752764

O=C(O)Cn1ncc2c1CCCC2NS(=O)(=O)c1cnc(O)c(Br)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
F10 P00742 2/20 0.34
DHODH Q02127 5/20 0.33
HPGD P15428 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
STAT3 P40763 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL703389 0.90 ALDH1A1 (0.42) CYP1A2KMT2AALDH1A1L3MBTL1F10
SCHEMBL752530 0.88 ALDH1A1 (0.42) CYP1A2KMT2AMEN1ALDH1A1DHODH
SCHEMBL700252 0.87 ALDH1A1 (0.36) CYP1A2KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL10166779 0.87 ALDH1A1 (0.41) CYP1A2KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL702894 0.86 ALDH1A1 (0.32) CYP1A2KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL733194 0.83 MMP2 (0.40) F10
SCHEMBL732630 0.83 PTGDR2 (0.36) KMT2ADHODHRAB9ASMN1; SMN2
SCHEMBL731651 0.83 DHODH (0.34) KMT2AMEN1ALDH1A1DHODHHPGD
SCHEMBL733183 0.83 MMP2 (0.40) F10
SCHEMBL702311 0.83 ALDH1A1 (0.44) CYP1A2KMT2AMEN1ALDH1A1L3MBTL1

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 4 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-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 CYP1A2 409/4885KMT2A 2156/4885MEN1 4375/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 CYP1A2 409/4885KMT2A 2156/4885MEN1 4375/4885

“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.