SCHEMBL733668

SCHEMBL733668

O=C(O)Cn1ncc2c1CCC[C@H]2NCS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 8/20 0.35
LTA4H P09960 1/20 0.35
FFAR1 O14842 3/20 0.35
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
MMP12 P39900 1/20 0.33
KMO O15229 1/20 0.32
PPARG P37231 1/20 0.32
TNF P01375 1/20 0.32
NOD2 Q9HC29 1/20 0.32
NOD1 Q9Y239 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL732240 0.92 FFAR1 (0.40) FFAR1KMOPPARGPTGDR2
SCHEMBL732248 0.90 KDM4C (0.40) NOD2NOD1PTGDR2
SCHEMBL734510 0.88 HIF1A (0.36) EGLN1FFAR1NOD1PTGDR2
SCHEMBL701621 0.86 L3MBTL1 (0.35)
SCHEMBL731648 0.86 FFAR1 (0.39) LTA4HFFAR1MMP2MMP9PTGDR2
SCHEMBL732339 0.84 GAA (0.34) TNFNOD2NOD1
SCHEMBL703977 0.84 CRHR1 (0.39)
SCHEMBL733662 0.83 SCN9A (0.36) FFAR1MMP2MMP9TNFNOD2
SCHEMBL734032 0.82 SCN9A (0.36) NOD2NOD1
SCHEMBL732275 0.82 LTA4H (0.33) EGLN1LTA4HFFAR1MMP2MMP9

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
EP-2307383-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2012-05-16 EP claimed
US-8138208-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-03-20 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 EGLN1 1889/4885LTA4H 17/4885FFAR1 43/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 EGLN1 1889/4885LTA4H 17/4885FFAR1 43/4885

“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.