SCHEMBL734073

SCHEMBL734073

CCOC(=O)Cn1ncc2c1CCC[C@H]2N(C)S(=O)(=O)c1cnc(Oc2ccc(C#N)cc2)c(Br)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP14 P54578 6/20 0.34
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30
PTGDR Q13258 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
PGR P06401 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
SCHEMBL734074 1.00 USP14 (0.34) USP14CYP11B1CYP11B2L3MBTL1KMT2A
SCHEMBL733914 0.92 PTGDR2 (0.34) PTGDRPTGDR2
SCHEMBL733915 0.92 PTGDR2 (0.34) PTGDRPTGDR2
SCHEMBL734181 0.91 POLB (0.36) L3MBTL1KMT2APTGDRPTGDR2
SCHEMBL732295 0.91 MAPK14 (0.36) L3MBTL1KMT2A
SCHEMBL734182 0.91 POLB (0.36) L3MBTL1KMT2APTGDRPTGDR2
SCHEMBL732296 0.91 MAPK14 (0.36) L3MBTL1KMT2A
SCHEMBL734462 0.90 KMT2A (0.32) L3MBTL1KMT2AKDM4E
SCHEMBL734463 0.90 KMT2A (0.32) L3MBTL1KMT2AKDM4E
SCHEMBL752835 0.88 USP14 (0.34) USP14CYP11B1CYP11B2L3MBTL1KMT2A

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 9 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-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-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 USP14 4093/4885CYP11B1 629/4885CYP11B2 377/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 USP14 4093/4885CYP11B1 629/4885CYP11B2 377/4885

“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.