SCHEMBL733431

SCHEMBL733431

CC(C)c1cc(S(=O)(=O)CN[C@@H]2CCCc3c2cnn3CC(=O)O)cnc1Oc1ccc(Cl)cc1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 2/20 0.32
NOD1 Q9Y239 2/20 0.32
EGLN1 Q9GZT9 1/20 0.32
CCR2 P41597 2/20 0.32
LTA4H P09960 1/20 0.32
P2RX3 P56373 4/20 0.32
MMP2 P08253 2/20 0.31
MMP9 P14780 2/20 0.31
SCN9A Q15858 3/20 0.31
PTGER4 P35408 1/20 0.31
RORC P51449 1/20 0.31
USP5 P45974 1/20 0.30
TNF P01375 1/20 0.30

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
SCHEMBL732275 0.89 LTA4H (0.33) NOD2NOD1EGLN1CCR2LTA4H
SCHEMBL733893 0.87 EGLN1 (0.32) NOD2NOD1EGLN1CCR2LTA4H
SCHEMBL733855 0.87 NOD2 (0.31) NOD2NOD1EGLN1
SCHEMBL733433 0.83 MAPK14 (0.35) EGLN1LTA4HP2RX3MMP2MMP9
SCHEMBL733432 0.83 MAPK14 (0.35) EGLN1LTA4HP2RX3MMP2MMP9
SCHEMBL733921 0.83 SCN9A (0.32) SCN9A
SCHEMBL733713 0.83 SCN9A (0.34) CCR2SCN9AUSP5
SCHEMBL731648 0.82 FFAR1 (0.39) CCR2LTA4HMMP2MMP9SCN9A
SCHEMBL733793 0.82 FFAR1 (0.34) EGLN1CCR2SCN9A
SCHEMBL734121 0.82 PTGDR2 (0.36) NOD2NOD1PTGER4TNF

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420675-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2013-04-16 US claimed
EP-2307383-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2012-05-16 EP claimed
US-20120101131-A1 Aminotetrahydroindazoloacetic Acids CHEN LI (CN) 2012-04-26 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
US-20100016369-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-20120101131-A1 Aminotetrahydroindazoloacetic Acids HRH2, HRH1, HRH4 NOD2 2545/4885NOD1 2768/4885EGLN1 1889/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 NOD2 2545/4885NOD1 2768/4885EGLN1 1889/4885

“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.