SCHEMBL701843

SCHEMBL701843

CC[S+]([O-])c1cc(C(F)(F)F)cc(S(=O)(=O)CN[C@@H]2CCCc3c2cnn3CC(=O)O)c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.33
BTK Q06187 2/20 0.32
TNF P01375 1/20 0.31
NOD1 Q9Y239 1/20 0.31
CYP11B1 P15538 3/20 0.31
CYP11B2 P19099 3/20 0.31
GCK P35557 1/20 0.31

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
SCHEMBL701377 0.90 DHODH (0.35) DHODHBTKCYP11B1CYP11B2GCK
SCHEMBL700545 0.87 DHODH (0.35) DHODHBTKTNFNOD1
SCHEMBL702051 0.87 DHODH (0.35) DHODHBTKCYP11B1CYP11B2
SCHEMBL701385 0.87 DHODH (0.33) DHODHBTKTNFNOD1CYP11B1
SCHEMBL701466 0.86 DHODH (0.34) DHODHBTKCYP11B1CYP11B2
SCHEMBL700779 0.86 DHODH (0.36) DHODH
SCHEMBL702264 0.86 DHODH (0.34) DHODH
SCHEMBL700516 0.86 CNR1 (0.37) DHODHCYP11B1CYP11B2
SCHEMBL702439 0.85 BDKRB1 (0.34) DHODHCYP11B1CYP11B2
SCHEMBL702448 0.85 DHODH (0.34) DHODHBTK

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
US-8124641-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US claimed
EP-2307382-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2011-12-21 EP claimed
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US claimed
US-8268870-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-09-18 US disclosed
US-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI (CN) 2012-04-19 US disclosed
US-8124641-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
EP-2307382-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2011-12-21 EP disclosed
US-20100016368-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-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 DHODH 195/4885BTK 3943/4885TNF 2955/4885
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 DHODH 195/4885BTK 3943/4885TNF 2955/4885

“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.