Sugi Predict

Sugi Predict / Compounds / SCHEMBL733186

SCHEMBL733186

SCHEMBL733186

O=C(O)Cn1ncc2c1CCC[C@H]2NCS(=O)(=O)c1cnc(Oc2ccc(F)cc2Cl)c(Br)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 3/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ RAB9A P51151 4/20 0.33
▸ NR2F2 P24468 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TTR P02766 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ NOD1 Q9Y239 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ GALR3 O60755 1/20 0.32
▸ TNF P01375 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ CCNT1 O60563 1/20 0.32
▸ CDK9 P50750 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
SCHEMBL734194 0.93 FFAR1 (0.33) SCN9APTGDR2SMN1; SMN2SCN5APOLB
SCHEMBL731686 0.93 RAB9A (0.37) SCN9APTGDR2KMT2AGAASMN1; SMN2
SCHEMBL732625 0.92 KDM4C (0.34) KMT2AGAASMN1; SMN2MEN1NOD1
SCHEMBL731671 0.92 MEN1 (0.37) PTGDR2KMT2ARAB9ANR2F2MEN1
SCHEMBL733248 0.90 SCN9A (0.35) SCN9AKMT2AGAASMN1; SMN2MEN1
SCHEMBL734121 0.89 PTGDR2 (0.36) PTGDR2KMT2AGAASMN1; SMN2RAB9A
SCHEMBL733713 0.89 SCN9A (0.34) SCN9ADHODH
SCHEMBL734416 0.88 SCN9A (0.36) SCN9AKMT2AGAASMN1; SMN2RAB9A
SCHEMBL732984 0.88 SCN9A (0.33) SCN9AKMT2AGAASMN1; SMN2NOD1
SCHEMBL732275 0.86 LTA4H (0.33) SCN9ANOD1DHODHTNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420675-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2013-04-16 — — US claimed
EP-2307383-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2012-05-16 — — EP claimed
US-20120101131-A1 Aminotetrahydroindazoloacetic Acids CHEN LI (CN) 2012-04-26 — — 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 SCN9A 2017/4885PTGDR2 16/4885KMT2A 2156/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 SCN9A 2017/4885PTGDR2 16/4885KMT2A 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.