SCHEMBL732401

SCHEMBL732401

CCOC(=O)Cn1ncc2c1CCCC2N(C)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)c(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.37
SCN9A Q15858 1/20 0.35
TRPM2 O94759 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
PTGDR2 Q9Y5Y4 9/20 0.33
PTGDR Q13258 8/20 0.33
TBXA2R P21731 6/20 0.33
RORC P51449 2/20 0.32
POLB P06746 1/20 0.32
CYP2C9 P11712 2/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KCNH2 Q12809 1/20 0.32
GCK P35557 2/20 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
SCHEMBL732400 1.00 PTGS2 (0.37) PTGS2SCN9ATRPM2ALDH1A1MAPT
SCHEMBL2138929 0.94 F10 (0.35) TRPM2ALDH1A1MAPTGCK
SCHEMBL752889 0.94 F10 (0.35) TRPM2ALDH1A1MAPTGCK
SCHEMBL732598 0.92 KDM4C (0.35) PTGS2SCN9ATRPM2ALDH1A1MAPT
SCHEMBL732599 0.92 KDM4C (0.35) PTGS2SCN9ATRPM2ALDH1A1MAPT
SCHEMBL734519 0.92 PTGDR2 (0.39) PTGDR2PTGDRTBXA2RCYP2C9KCNH2
SCHEMBL734518 0.92 PTGDR2 (0.39) PTGDR2PTGDRTBXA2RCYP2C9KCNH2
SCHEMBL733950 0.90 POLB (0.34) PTGS2SCN9AALDH1A1MAPTALOX15
SCHEMBL733072 0.90 SCN9A (0.36) PTGS2SCN9AALDH1A1MAPTALOX15
SCHEMBL733949 0.90 POLB (0.34) PTGS2SCN9AALDH1A1MAPTALOX15

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 PTGS2 197/4885SCN9A 2017/4885TRPM2 1493/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 PTGS2 197/4885SCN9A 2017/4885TRPM2 1493/4885

“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.