SCHEMBL733656

SCHEMBL733656

O=C(O)Cn1ncc2c1CCC[C@H]2NCS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)c(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.37
GCK P35557 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
EGLN1 Q9GZT9 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KCNH2 Q12809 1/20 0.33
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
PPARG P37231 1/20 0.32
FFAR1 O14842 1/20 0.32
SCN9A Q15858 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
SCHEMBL734517 0.93 GCK (0.35) CCR2GCKEGLN1KDM4CFFAR1
SCHEMBL733662 0.90 SCN9A (0.36) PTGDR2MMP2MMP9KDM4CFFAR1
SCHEMBL731648 0.90 FFAR1 (0.39) CCR2PTGDR2MMP2MMP9FFAR1
SCHEMBL732591 0.87 SCN9A (0.39) GCKMMP2MMP9EGLN1PPARG
SCHEMBL734491 0.86 FFAR1 (0.35) KDM4CFFAR1SCN9A
SCHEMBL733796 0.85 PREP (0.36) KDM4CFFAR1
SCHEMBL734190 0.85 SOS1 (0.39) FFAR1SCN9A
SCHEMBL734027 0.84 FFAR1 (0.35) GCKPTGDR2KDM4CMAPTPOLB
SCHEMBL733651 0.84 NPBWR1 (0.37) MAPTFFAR1
SCHEMBL3168499 0.84 FFAR1 (0.35) GCKPTGDR2KDM4CMAPTPOLB

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 CCR2 709/4885GCK 1960/4885PTGDR2 16/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 CCR2 709/4885GCK 1960/4885PTGDR2 16/4885

“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.