SCHEMBL734196

SCHEMBL734196

CN(C1CCCc2c1cnn2CC(=O)O)S(=O)(=O)c1cnc(Oc2ccc(Cl)cc2Cl)c(Br)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.35
PTGDR2 Q9Y5Y4 5/20 0.34
FFAR1 O14842 1/20 0.34
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
NPC1 O15118 1/20 0.32
KDM4E B2RXH2 3/20 0.32
SIGMAR1 Q99720 2/20 0.32
KCNJ6 P48051 1/20 0.32
KCNJ5 P48544 1/20 0.32
KCNJ3 P48549 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TBXA2R P21731 3/20 0.31
PTGDR Q13258 3/20 0.31
KMO O15229 1/20 0.31
PTGER3 P43115 1/20 0.31
SCN9A Q15858 1/20 0.31

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
SCHEMBL734195 1.00 F10 (0.35) F10PTGDR2FFAR1APOBEC3AAPOBEC3G
SCHEMBL733715 0.94 F10 (0.35) F10PTGDR2NPC1TBXA2RPTGDR
SCHEMBL733714 0.94 F10 (0.35) F10PTGDR2NPC1TBXA2RPTGDR
SCHEMBL733249 0.93 F10 (0.36) F10PTGDR2NPC1TBXA2RPTGDR
SCHEMBL733187 0.93 PTGDR2 (0.35) PTGDR2APOBEC3AAPOBEC3GTBXA2RPTGDR
SCHEMBL733188 0.93 PTGDR2 (0.35) PTGDR2APOBEC3AAPOBEC3GTBXA2RPTGDR
SCHEMBL733250 0.93 F10 (0.36) F10PTGDR2NPC1TBXA2RPTGDR
SCHEMBL732627 0.92 KDM4C (0.33) F10PTGDR2TBXA2RPTGDR
SCHEMBL732626 0.92 KDM4C (0.33) F10PTGDR2TBXA2RPTGDR
SCHEMBL732289 0.92 KMT2A (0.33) F10PTGDR2APOBEC3AAPOBEC3GNPC1

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 9 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 claimed
EP-2307383-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2012-05-16 EP claimed
US-20120101131-A1 Aminotetrahydroindazoloacetic Acids CHEN LI (CN) 2012-04-26 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 F10 736/4885PTGDR2 16/4885FFAR1 43/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 F10 736/4885PTGDR2 16/4885FFAR1 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.