Sugi Predict

Sugi Predict / Compounds / SCHEMBL733662

SCHEMBL733662

SCHEMBL733662

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 3/20 0.36
▸ MMP2 P08253 2/20 0.35
▸ MMP9 P14780 2/20 0.35
▸ NOD2 Q9HC29 2/20 0.34
▸ NOD1 Q9Y239 2/20 0.34
▸ TNF P01375 1/20 0.34
▸ DHODH Q02127 2/20 0.34
▸ F10 P00742 1/20 0.34
▸ KDM4C Q9H3R0 2/20 0.34
▸ FFAR1 O14842 1/20 0.33
▸ KDM6B O15054 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ USP5 P45974 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL731648 0.92 FFAR1 (0.39) SCN9AMMP2MMP9FFAR1KMT2A
SCHEMBL733656 0.90 CCR2 (0.37) SCN9AMMP2MMP9KDM4CFFAR1
SCHEMBL734330 0.90 PTGER3 (0.35) SCN9ANOD2NOD1TNFDHODH
SCHEMBL734190 0.90 SOS1 (0.39) SCN9AFFAR1
SCHEMBL734491 0.89 FFAR1 (0.35) SCN9AKDM4CFFAR1KMT2AATM
SCHEMBL731745 0.88 SCN9A (0.35) SCN9ANOD2NOD1DHODHKDM4C
SCHEMBL733786 0.87 SCN9A (0.39) SCN9ANOD1TNFDHODHKDM4C
SCHEMBL733796 0.87 PREP (0.36) DHODHKDM4CFFAR1KMT2A
SCHEMBL733651 0.86 NPBWR1 (0.37) NOD2NOD1TNFFFAR1KMT2A
SCHEMBL734027 0.86 FFAR1 (0.35) SCN9AF10KDM4CFFAR1KMT2A

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 SCN9A 2017/4885MMP2 3269/4885MMP9 4517/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 SCN9A 2017/4885MMP2 3269/4885MMP9 4517/4885

“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.