SCHEMBL733320

SCHEMBL733320

O=C(O)Cn1ncc2c1CCC[C@H]2NCS(=O)(=O)c1ccc(Oc2ccc(F)cc2)c(Br)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 2/20 0.36
ATM Q13315 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
TTR P02766 1/20 0.34
BRD4 O60885 1/20 0.33
KDM4C Q9H3R0 1/20 0.32
RAB9A P51151 1/20 0.32
NOD2 Q9HC29 1/20 0.32
NOD1 Q9Y239 1/20 0.32
GCK P35557 1/20 0.32
PTGDR2 Q9Y5Y4 3/20 0.32
RORC P51449 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 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
SCHEMBL732256 0.91 KDM4C (0.39) ATMKMT2AMEN1TTRBRD4
SCHEMBL734491 0.91 FFAR1 (0.35) ATMKMT2AMEN1TTRBRD4
SCHEMBL734517 0.90 GCK (0.35) EPAS1ATMKMT2AMEN1TTR
SCHEMBL734121 0.89 PTGDR2 (0.36) ATMKMT2ARAB9ANOD2NOD1
SCHEMBL3168499 0.86 FFAR1 (0.35) KMT2AMEN1KDM4CGCKPTGDR2
SCHEMBL734027 0.86 FFAR1 (0.35) KMT2AMEN1KDM4CGCKPTGDR2
SCHEMBL733662 0.86 SCN9A (0.36) ATMKMT2AKDM4CNOD2NOD1
SCHEMBL732300 0.86 ATM (0.36) ATMKMT2AMEN1TTRRAB9A
SCHEMBL731648 0.85 FFAR1 (0.39) KMT2APTGDR2SMN1; SMN2
SCHEMBL734416 0.85 SCN9A (0.36) ATMKMT2AMEN1TTRRAB9A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307383-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2012-05-16 EP claimed
US-8138208-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-03-20 US claimed
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US claimed
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-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 EPAS1 3223/4885ATM 3156/4885KMT2A 2156/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 EPAS1 3223/4885ATM 3156/4885KMT2A 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.