SCHEMBL703452

SCHEMBL703452

CCS(=O)(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)NC2CCCc3c2cnn3CC(=O)O)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.35
CYP11B1 P15538 5/20 0.35
CYP11B2 P19099 5/20 0.35
BTK Q06187 2/20 0.35
GCK P35557 1/20 0.35
STS P08842 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
BDKRB1 P46663 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
SCHEMBL703451 1.00 DHODH (0.35) DHODHCYP11B1CYP11B2BTKGCK
SCHEMBL703361 0.93 DHODH (0.38) DHODHBTKSTSALDH1A1BDKRB1
SCHEMBL703362 0.93 DHODH (0.38) DHODHBTKSTSALDH1A1BDKRB1
SCHEMBL701569 0.92 DHODH (0.36) DHODHCYP11B1CYP11B2BTKSTS
SCHEMBL701568 0.92 DHODH (0.36) DHODHCYP11B1CYP11B2BTKSTS
SCHEMBL701322 0.90 DHODH (0.39) DHODHCYP11B1CYP11B2BTKSTS
SCHEMBL700436 0.90 ALDH1A1 (0.41) DHODHCYP11B1CYP11B2BTKALDH1A1
SCHEMBL700435 0.90 ALDH1A1 (0.41) DHODHCYP11B1CYP11B2BTKALDH1A1
SCHEMBL701377 0.90 DHODH (0.35) DHODHCYP11B1CYP11B2BTKGCK
SCHEMBL702323 0.89 DHODH (0.34) DHODHBTKSTSALDH1A1BDKRB1

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 13 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
JP-2011528002-A 2011-11-10 JP claimed
EP-2307382-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP claimed
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US claimed
WO-2010006939-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 WO 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
EP-2307382-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP disclosed
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US disclosed
WO-2010006939-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-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 DHODH 195/4885CYP11B1 551/4885CYP11B2 334/4885
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 DHODH 195/4885CYP11B1 551/4885CYP11B2 334/4885

“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.