SCHEMBL732599

SCHEMBL732599

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.35
SCN9A Q15858 1/20 0.35
POLB P06746 2/20 0.34
PTGS2 P35354 1/20 0.34
PTGDR2 Q9Y5Y4 5/20 0.34
PTGDR Q13258 3/20 0.34
CYP2C9 P11712 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 1/20 0.33
MAPT P10636 1/20 0.33
TBXA2R P21731 2/20 0.33
GCK P35557 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 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
SCHEMBL732598 1.00 KDM4C (0.35) KDM4CSCN9APOLBPTGS2PTGDR2
SCHEMBL733950 0.94 POLB (0.34) KDM4CSCN9APOLBPTGS2PTGDR2
SCHEMBL733073 0.94 SCN9A (0.36) SCN9APOLBPTGS2PTGDR2PTGDR
SCHEMBL733949 0.94 POLB (0.34) KDM4CSCN9APOLBPTGS2PTGDR2
SCHEMBL733072 0.94 SCN9A (0.36) SCN9APOLBPTGS2PTGDR2PTGDR
SCHEMBL4572478 0.93 F10 (0.38) CYP2C9ALDH1A1MAPTSMN1; SMN2PSEN1
SCHEMBL732401 0.92 PTGS2 (0.37) SCN9APOLBPTGS2PTGDR2PTGDR
SCHEMBL732400 0.92 PTGS2 (0.37) SCN9APOLBPTGS2PTGDR2PTGDR
SCHEMBL732257 0.92 PTGDR2 (0.40) KDM4CPTGDR2PTGDRCYP2C9TBXA2R
SCHEMBL732258 0.92 PTGDR2 (0.40) KDM4CPTGDR2PTGDRCYP2C9TBXA2R

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 KDM4C 4231/4885SCN9A 2017/4885POLB 3887/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 KDM4C 4231/4885SCN9A 2017/4885POLB 3887/4885

“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.