Sugi Predict

Sugi Predict / Compounds / SCHEMBL732336

SCHEMBL732336

SCHEMBL732336

O=C(O)Cn1ncc2c1CCC[C@H]2NCS(=O)(=O)c1ccc(Oc2cccc(Cl)c2)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ MRGPRX4 Q96LA9 1/20 0.34
▸ BDKRB1 P46663 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SCN1A P35498 1/20 0.32
▸ SCN8A Q9UQD0 1/20 0.32
▸ P2RX4 Q99571 3/20 0.32
▸ SLC6A3 Q01959 3/20 0.32
▸ TMEM97 Q5BJF2 2/20 0.32
▸ CYP2C8 P10632 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
SCHEMBL733796 0.95 PREP (0.36) FFAR1KDM4CDHODHKMT2AMEN1
SCHEMBL731648 0.92 FFAR1 (0.39) FFAR1PTGDR2KMT2A
SCHEMBL732529 0.92 FFAR1 (0.37) FFAR1PTGDR2DHODHLMNA
SCHEMBL734190 0.91 SOS1 (0.39) FFAR1SLC6A4HRH3
SCHEMBL731642 0.90 KDM4C (0.35) KDM4CDHODHKMT2ALMNANPSR1
SCHEMBL731745 0.90 SCN9A (0.35) FFAR1KDM4CDHODH
SCHEMBL734491 0.89 FFAR1 (0.35) FFAR1KDM4CKMT2AMEN1SCN1A
SCHEMBL733651 0.89 NPBWR1 (0.37) FFAR1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL734027 0.89 FFAR1 (0.35) FFAR1KDM4CBDKRB1PTGDR2KMT2A
SCHEMBL3168499 0.89 FFAR1 (0.35) FFAR1KDM4CBDKRB1PTGDR2KMT2A

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 FFAR1 43/4885CYP1A2 409/4885CYP3A4 1810/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 FFAR1 43/4885CYP1A2 409/4885CYP3A4 1810/4885

“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.