SCHEMBL734330

SCHEMBL734330

O=C(O)Cn1ncc2c1CCC[C@H]2NCS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2F)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 1/20 0.35
DHODH Q02127 3/20 0.35
SCN9A Q15858 8/20 0.35
EGLN1 Q9GZT9 1/20 0.33
FFAR1 O14842 1/20 0.33
TNF P01375 1/20 0.33
NOD2 Q9HC29 1/20 0.33
NOD1 Q9Y239 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
PTGDR Q13258 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
ATM Q13315 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
SCHEMBL732529 0.95 FFAR1 (0.37) PTGER3DHODHSCN9AFFAR1PTGDR2
SCHEMBL733786 0.94 SCN9A (0.39) DHODHSCN9ATNFNOD1ATM
SCHEMBL734603 0.93 DHODH (0.37) DHODHSCN9ATNFNOD2NOD1
SCHEMBL734409 0.92 SCN9A (0.37) DHODHSCN9ATNFNOD1ATM
SCHEMBL734416 0.92 SCN9A (0.36) DHODHSCN9ATNFNOD1ATM
SCHEMBL734376 0.90 PTGER3 (0.38) PTGER3PTGDR2PTGDR
SCHEMBL734190 0.90 SOS1 (0.39) SCN9AFFAR1
SCHEMBL733662 0.90 SCN9A (0.36) DHODHSCN9AFFAR1TNFNOD2
SCHEMBL731648 0.90 FFAR1 (0.39) PTGER3SCN9AFFAR1PTGDR2PTGDR
SCHEMBL733308 0.90 DHODH (0.36) DHODHTNFNOD2NOD1

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 PTGER3 115/4885DHODH 278/4885SCN9A 2017/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 PTGER3 115/4885DHODH 278/4885SCN9A 2017/4885

“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.