SCHEMBL732534

SCHEMBL732534

CCOC(=O)Cn1ncc2c1CCCC2N(C)S(=O)(=O)c1cnc(Oc2ccc(F)cc2Cl)c(Br)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.31
TLR4 O00206 4/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
SCN5A Q14524 1/20 0.31
MGLL Q99685 1/20 0.31
APOBEC3A P31941 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CCNT1 O60563 1/20 0.30
CDK9 P50750 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL732533 1.00 SCN9A (0.36) SCN9APTGDR2KMT2ALMNAMEN1
SCHEMBL733265 0.93 SCN9A (0.40) SCN9APTGDR2LMNAPOLBL3MBTL1
SCHEMBL733266 0.93 SCN9A (0.40) SCN9APTGDR2LMNAPOLBL3MBTL1
SCHEMBL732288 0.93 KMT2A (0.33) SCN9APTGDR2KMT2AAPOBEC3AAPOBEC3G
SCHEMBL732289 0.93 KMT2A (0.33) SCN9APTGDR2KMT2AAPOBEC3AAPOBEC3G
SCHEMBL751220 0.93 KMT2A (0.35) SCN9AKMT2AALDH1A1L3MBTL1
SCHEMBL731882 0.92 SCN9A (0.35) SCN9APTGDR2KMT2ALMNAMEN1
SCHEMBL731883 0.92 SCN9A (0.35) SCN9APTGDR2KMT2ALMNAMEN1
Ethane SCHEMBL734596 0.92 KMT2A (0.35) SCN9AKMT2AL3MBTL1
SCHEMBL733188 0.92 PTGDR2 (0.35) SCN9APTGDR2SCN5AMGLLAPOBEC3A

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 SCN9A 2017/4885PTGDR2 16/4885KMT2A 2156/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 SCN9A 2017/4885PTGDR2 16/4885KMT2A 2156/4885

“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.