SCHEMBL732075

SCHEMBL732075

COC(=O)CCn1ncc2c1CCCC2NS(=O)(=O)c1cnc(Oc2ccc(Cl)cc2)c(Br)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.37
MMP9 P14780 5/20 0.37
F10 P00742 3/20 0.33
S100A9 P06702 1/20 0.33
CCR2 P41597 2/20 0.32
P2RX3 P56373 2/20 0.32
NOD2 Q9HC29 2/20 0.32
NOD1 Q9Y239 2/20 0.32
TNF P01375 1/20 0.32
GLA P06280 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SCN9A Q15858 1/20 0.32
MMP3 P08254 1/20 0.31
MMP13 P45452 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL732073 1.00 MMP2 (0.37) MMP2MMP9F10S100A9CCR2
SCHEMBL732062 0.93 MMP2 (0.38) MMP2MMP9CCR2MMP3MMP13
SCHEMBL732060 0.93 MMP2 (0.38) MMP2MMP9CCR2MMP3MMP13
SCHEMBL4572474 0.91 MMP2 (0.37) MMP2MMP9F10CCR2P2RX3
SCHEMBL732130 0.89 S100A9 (0.34) S100A9CCR2MEN1KMT2A
SCHEMBL732128 0.89 S100A9 (0.34) S100A9CCR2MEN1KMT2A
SCHEMBL733183 0.88 MMP2 (0.40) MMP2MMP9F10CCR2MMP3
SCHEMBL733194 0.88 MMP2 (0.40) MMP2MMP9F10CCR2MMP3
SCHEMBL732561 0.88 ALDH1A1 (0.39) MMP2MMP9F10P2RX3NOD2
SCHEMBL734365 0.88 ALDH1A1 (0.39) MMP2MMP9F10P2RX3NOD2

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 5 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 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 MMP2 3269/4885MMP9 4517/4885F10 736/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 MMP2 3269/4885MMP9 4517/4885F10 736/4885

“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.