SCHEMBL731745

SCHEMBL731745

O=C(O)Cn1ncc2c1CCC[C@H]2NCS(=O)(=O)c1ccc(Oc2ccc(Cl)c(F)c2)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.35
ATF4 P18848 2/20 0.34
SLC22A12 Q96S37 2/20 0.33
NOD2 Q9HC29 1/20 0.33
NOD1 Q9Y239 1/20 0.33
PLA2G7 Q13093 1/20 0.33
FFAR1 O14842 1/20 0.33
DHODH Q02127 3/20 0.32
SOS1 Q07889 2/20 0.32
KDM4C Q9H3R0 2/20 0.32
ATM Q13315 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 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
SCHEMBL734190 0.94 SOS1 (0.39) SCN9AFFAR1SOS1
SCHEMBL734491 0.93 FFAR1 (0.35) SCN9AFFAR1KDM4CATM
SCHEMBL731648 0.91 FFAR1 (0.39) SCN9AFFAR1
SCHEMBL733796 0.90 PREP (0.36) FFAR1DHODHKDM4C
SCHEMBL733317 0.90 FFAR1 (0.35) SCN9AFFAR1DHODHATM
SCHEMBL3168499 0.90 FFAR1 (0.35) SCN9AFFAR1KDM4C
SCHEMBL732336 0.90 FFAR1 (0.35) FFAR1DHODHKDM4C
SCHEMBL733651 0.90 NPBWR1 (0.37) NOD2NOD1FFAR1
SCHEMBL734027 0.90 FFAR1 (0.35) SCN9AFFAR1KDM4C
SCHEMBL732836 0.90 GCK (0.37) SCN9AFFAR1CYP11B1CYP11B2

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 2017/4885ATF4 1676/4885SLC22A12 1436/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 SCN9A 2017/4885ATF4 1676/4885SLC22A12 1436/4885

“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.