Sugi Predict

Sugi Predict / Compounds / SCHEMBL734517

SCHEMBL734517

SCHEMBL734517

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 1/20 0.35
▸ KDM4C Q9H3R0 2/20 0.35
▸ RORC P51449 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ ATM Q13315 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TTR P02766 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ EPAS1 Q99814 1/20 0.32
▸ CCR2 P41597 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NOD2 Q9HC29 1/20 0.32
▸ NOD1 Q9Y239 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
SCHEMBL733656 0.93 CCR2 (0.37) GCKKDM4CFFAR1EGLN1CCR2
SCHEMBL732256 0.90 KDM4C (0.39) KDM4CBRD4ATMMEN1TTR
SCHEMBL733320 0.90 EPAS1 (0.36) GCKKDM4CRORCBRD4ATM
SCHEMBL734491 0.90 FFAR1 (0.35) KDM4CBRD4ATMMEN1TTR
SCHEMBL733790 0.86 DHODH (0.34) GCKRORCATMSCN9ARAB9A
SCHEMBL733662 0.85 SCN9A (0.36) KDM4CATMKMT2AFFAR1SCN9A
SCHEMBL732300 0.85 ATM (0.36) ATMMEN1TTRKMT2ARAB9A
SCHEMBL732591 0.85 SCN9A (0.39) GCKFFAR1EGLN1SCN9A
SCHEMBL734416 0.83 SCN9A (0.36) ATMMEN1TTRKMT2ASCN9A
SCHEMBL731648 0.83 FFAR1 (0.39) KMT2AFFAR1CCR2SCN9A

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 GCK 1960/4885KDM4C 4231/4885RORC 376/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 GCK 1960/4885KDM4C 4231/4885RORC 376/4885

“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.