SCHEMBL734220

SCHEMBL734220

O=C(O)Cn1ncc2c1CCC[C@H]2NCS(=O)(=O)c1cc(-c2ccc(F)cc2)cc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.37
RORC P51449 3/20 0.36
DHODH Q02127 3/20 0.36
ATM Q13315 1/20 0.35
BDKRB1 P46663 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
BTK Q06187 4/20 0.33
RAB9A P51151 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 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
SCHEMBL700779 0.90 DHODH (0.36) RORCDHODHATMPTGDR2RAB9A
SCHEMBL733790 0.89 DHODH (0.34) RORCDHODHATMBDKRB1PTGDR2
SCHEMBL701377 0.87 DHODH (0.35) DHODHBTKRAB9ACYP11B1CYP11B2
SCHEMBL700545 0.86 DHODH (0.35) DHODHBTKRAB9A
SCHEMBL700516 0.86 CNR1 (0.37) DHODHATMBDKRB1CYP11B1CYP11B2
SCHEMBL702264 0.86 DHODH (0.34) DHODHBDKRB1
SCHEMBL702051 0.86 DHODH (0.35) DHODHBTKRAB9ACYP11B1CYP11B2
SCHEMBL701271 0.85 CNR1 (0.35) DHODHATMBDKRB1
SCHEMBL701466 0.85 DHODH (0.34) DHODHBDKRB1BTKCYP11B1CYP11B2
SCHEMBL700574 0.85 DHODH (0.34) DHODHBDKRB1

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 10 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
EP-2307383-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP disclosed
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US disclosed
WO-2010006944-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 WO 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 TRPA1 1330/4885RORC 376/4885DHODH 278/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 TRPA1 1330/4885RORC 376/4885DHODH 278/4885

“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.