Sugi Predict

Sugi Predict / Compounds / SCHEMBL732763

SCHEMBL732763

SCHEMBL732763

O=C(O)CCn1ncc2c1CCC[C@H]2NCS(=O)(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SFRP1 Q8N474 1/20 0.35
▸ DHODH Q02127 3/20 0.34
▸ PTGDR2 Q9Y5Y4 2/20 0.34
▸ KMO O15229 2/20 0.33
▸ NAMPT P43490 2/20 0.33
▸ RHOC P08134 1/20 0.33
▸ RHOA P61586 1/20 0.33
▸ TNF P01375 1/20 0.33
▸ NOD2 Q9HC29 1/20 0.33
▸ NOD1 Q9Y239 1/20 0.33
▸ BDKRB1 P46663 2/20 0.33
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33
▸ BTK Q06187 2/20 0.32
▸ CRHR1 P34998 1/20 0.32
▸ PPARG P37231 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
SCHEMBL734494 0.93 RORC (0.37) SFRP1DHODHPTGDR2TNFNOD1
SCHEMBL732141 0.92 DHODH (0.35) SFRP1DHODHPTGDR2NAMPTRHOC
SCHEMBL732140 0.92 DHODH (0.35) SFRP1DHODHPTGDR2NAMPTRHOC
SCHEMBL732133 0.90 HCRTR1 (0.37) SFRP1DHODHPTGDR2TNFNOD2
SCHEMBL700438 0.87 DHODH (0.33) DHODHBDKRB1BTKRORC
SCHEMBL732464 0.85 TRPM2 (0.37) DHODHPTGDR2NAMPTRHOCRHOA
SCHEMBL732463 0.85 TRPM2 (0.37) DHODHPTGDR2NAMPTRHOCRHOA
SCHEMBL732764 0.83 PTGDR2 (0.35) PTGDR2KMONAMPTPSEN1PSEN2
SCHEMBL732765 0.83 PTGDR2 (0.35) PTGDR2KMONAMPTPSEN1PSEN2
SCHEMBL701377 0.81 DHODH (0.35) DHODHBTK

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 SFRP1 2965/4885DHODH 278/4885PTGDR2 16/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 SFRP1 2965/4885DHODH 278/4885PTGDR2 16/4885

“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.