SCHEMBL703392

SCHEMBL703392

O=C(O)CCn1ncc2c1CCCC2NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DHODH Q02127 3/20 0.37
S1PR1 P21453 2/20 0.36
BTK Q06187 2/20 0.35
CYP1A2 P05177 1/20 0.34
CNR1 P21554 1/20 0.34
STS P08842 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SFRP1 Q8N474 1/20 0.34
BDKRB1 P46663 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL703391 1.00 ALDH1A1 (0.38) ALDH1A1L3MBTL1DHODHS1PR1BTK
SCHEMBL703361 0.91 DHODH (0.38) ALDH1A1L3MBTL1DHODHBTKCYP1A2
SCHEMBL703362 0.91 DHODH (0.38) ALDH1A1L3MBTL1DHODHBTKCYP1A2
SCHEMBL705343 0.90 STS (0.36) DHODHBTKSTSMEN1KMT2A
SCHEMBL705344 0.90 STS (0.36) DHODHBTKSTSMEN1KMT2A
SCHEMBL734356 0.86 ADAMTS7 (0.40) ALDH1A1L3MBTL1DHODHS1PR1BTK
SCHEMBL734358 0.86 ADAMTS7 (0.40) ALDH1A1L3MBTL1DHODHS1PR1BTK
SCHEMBL700332 0.85 ATM (0.36) DHODHBTKMEN1KMT2ACYP11B1
SCHEMBL701725 0.85 DHODH (0.34) ALDH1A1L3MBTL1DHODHBTKCYP1A2
SCHEMBL701726 0.85 DHODH (0.34) ALDH1A1L3MBTL1DHODHBTKCYP1A2

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 ALDH1A1 317/4885L3MBTL1 4710/4885DHODH 195/4885
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 ALDH1A1 317/4885L3MBTL1 4710/4885DHODH 195/4885

“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.