SCHEMBL732275

SCHEMBL732275

O=C(O)Cn1ncc2c1CCC[C@H]2NCS(=O)(=O)c1cnc(Oc2ccc(Cl)cc2)c(Br)c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.33
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
EGLN1 Q9GZT9 2/20 0.32
CCR2 P41597 2/20 0.32
USP5 P45974 1/20 0.32
FFAR1 O14842 1/20 0.31
DHODH Q02127 1/20 0.31
SCN9A Q15858 1/20 0.31
NOD2 Q9HC29 2/20 0.30
NOD1 Q9Y239 2/20 0.30
CNR1 P21554 1/20 0.30
KMO O15229 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL733921 0.94 SCN9A (0.32) DHODHSCN9A
SCHEMBL733793 0.93 FFAR1 (0.34) EGLN1CCR2FFAR1DHODHSCN9A
SCHEMBL734121 0.93 PTGDR2 (0.36) DHODHNOD2NOD1TNF
SCHEMBL733855 0.92 NOD2 (0.31) EGLN1NOD2NOD1MAPT
SCHEMBL732984 0.91 SCN9A (0.33) DHODHSCN9ANOD2NOD1
SCHEMBL734194 0.91 FFAR1 (0.33) FFAR1DHODHSCN9AKMO
SCHEMBL733713 0.91 SCN9A (0.34) CCR2USP5DHODHSCN9AKMO
SCHEMBL733913 0.91 PPARD (0.33) EGLN1SCN9ANOD2NOD1
SCHEMBL733183 0.89 MMP2 (0.40) LTA4HMMP2MMP9EGLN1CCR2
SCHEMBL733194 0.89 MMP2 (0.40) LTA4HMMP2MMP9EGLN1CCR2

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 LTA4H 17/4885MMP2 3269/4885MMP9 4517/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 LTA4H 17/4885MMP2 3269/4885MMP9 4517/4885

“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.