SCHEMBL734027

SCHEMBL734027

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.35
SCN9A Q15858 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
GCK P35557 2/20 0.31
F10 P00742 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
OPRK1 P41145 4/20 0.30
OPRM1 P35372 3/20 0.30
OPRD1 P41143 2/20 0.30
BDKRB1 P46663 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
SCHEMBL3168499 1.00 FFAR1 (0.35) FFAR1SCN9AMAPTTHRBPTGDR2
SCHEMBL731648 0.94 FFAR1 (0.39) FFAR1SCN9APTGDR2KMT2ASMN1; SMN2
SCHEMBL733796 0.93 PREP (0.36) FFAR1KDM4CMEN1KMT2ASMN1; SMN2
SCHEMBL734491 0.92 FFAR1 (0.35) FFAR1SCN9AKDM4CMEN1GAA
SCHEMBL733317 0.92 FFAR1 (0.35) FFAR1SCN9AGCKGAAKMT2A
SCHEMBL733651 0.92 NPBWR1 (0.37) FFAR1MAPTMEN1GAAKMT2A
SCHEMBL732836 0.92 GCK (0.37) FFAR1SCN9AGCK
SCHEMBL734646 0.91 OPRK1 (0.39) FFAR1SCN9APTGDR2KMT2ASMN1; SMN2
SCHEMBL731661 0.90 NPC1 (0.37) GCKMEN1POLBKMT2A
SCHEMBL732591 0.90 SCN9A (0.39) FFAR1SCN9AGCK

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 FFAR1 43/4885SCN9A 2017/4885MAPT 4576/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 FFAR1 43/4885SCN9A 2017/4885MAPT 4576/4885

“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.