SCHEMBL2619331

SCHEMBL2619331

CCOC(=O)Cn1ncc2c1CCC[C@H]2NS(=O)(=O)c1cnc(Oc2ccc(F)c(F)c2)c(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NOD2 Q9HC29 1/20 0.37
NOD1 Q9Y239 1/20 0.37
DHODH Q02127 7/20 0.34
POLB P06746 3/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4D Q08499 1/20 0.33
SCN9A Q15858 1/20 0.32
KMT2A Q03164 1/20 0.32
NR2F2 P24468 1/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 1/20 0.32
S1PR3 Q99500 1/20 0.31

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
SCHEMBL751146 1.00 TP53 (0.38) TP53ALDH1A1HPGDNOD2NOD1
SCHEMBL4572449 0.93 NOD1 (0.36) TP53ALDH1A1HPGDNOD2NOD1
SCHEMBL733302 0.93 ALDH1A1 (0.39) TP53ALDH1A1HPGDNOD2NOD1
SCHEMBL732561 0.92 ALDH1A1 (0.39) TP53ALDH1A1HPGDNOD2NOD1
SCHEMBL734365 0.92 ALDH1A1 (0.39) TP53ALDH1A1HPGDNOD2NOD1
SCHEMBL734277 0.92 ALDH1A1 (0.40) TP53ALDH1A1HPGDNOD2NOD1
SCHEMBL732677 0.91 NOD1 (0.35) NOD2NOD1DHODHPDE4APDE4B
SCHEMBL733189 0.90 ALDH1A1 (0.40) TP53ALDH1A1HPGDNOD2NOD1
SCHEMBL734022 0.90 ALDH1A1 (0.39) TP53ALDH1A1HPGDNOD2NOD1
SCHEMBL731980 0.90 TRPM2 (0.39) TP53ALDH1A1HPGDNOD2NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 TP53 4252/4885ALDH1A1 507/4885HPGD 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.