SCHEMBL703362

SCHEMBL703362

O=C(O)Cn1ncc2c1CCCC2NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.38
STS P08842 2/20 0.37
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.35
CNR1 P21554 1/20 0.35
LMNA P02545 1/20 0.35
BDKRB1 P46663 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BTK Q06187 3/20 0.34

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
SCHEMBL703361 1.00 DHODH (0.38) DHODHSTSALDH1A1L3MBTL1CYP1A2
SCHEMBL701322 0.94 DHODH (0.39) DHODHSTSMEN1KMT2ABTK
SCHEMBL702919 0.94 CNR1 (0.38) DHODHALDH1A1L3MBTL1CYP1A2CNR1
SCHEMBL701569 0.94 DHODH (0.36) DHODHSTSALDH1A1L3MBTL1BDKRB1
SCHEMBL700322 0.94 DHODH (0.35) DHODHALDH1A1L3MBTL1CYP1A2CNR1
SCHEMBL702486 0.94 CNR1 (0.38) DHODHALDH1A1L3MBTL1CYP1A2CNR1
SCHEMBL702788 0.94 DHODH (0.35) DHODHALDH1A1L3MBTL1CYP1A2CNR1
SCHEMBL701568 0.94 DHODH (0.36) DHODHSTSALDH1A1L3MBTL1BDKRB1
SCHEMBL703452 0.93 DHODH (0.35) DHODHSTSALDH1A1BDKRB1BTK
SCHEMBL703451 0.93 DHODH (0.35) DHODHSTSALDH1A1BDKRB1BTK

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 195/4885STS 2085/4885ALDH1A1 317/4885
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 DHODH 195/4885STS 2085/4885ALDH1A1 317/4885

“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.