SCHEMBL732242

SCHEMBL732242

CN(C1CCCc2c1cnn2CC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.40
F10 P00742 2/20 0.35
HIF1A Q16665 1/20 0.35
PTGDR Q13258 7/20 0.34
PTGDR2 Q9Y5Y4 7/20 0.34
BDKRB1 P46663 2/20 0.33
MCL1 Q07820 1/20 0.33
KCNJ6 P48051 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
PPARG P37231 2/20 0.33
KMO O15229 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
SCHEMBL732241 1.00 FFAR1 (0.40) FFAR1F10HIF1APTGDRPTGDR2
SCHEMBL734511 0.93 HIF1A (0.36) FFAR1HIF1APTGDR2
SCHEMBL734512 0.93 HIF1A (0.36) FFAR1HIF1APTGDR2
SCHEMBL733670 0.92 LTA4H (0.35) FFAR1F10PTGDR2BDKRB1KMO
SCHEMBL733669 0.92 LTA4H (0.35) FFAR1F10PTGDR2BDKRB1KMO
SCHEMBL732249 0.92 KDM4C (0.39) FFAR1HIF1APPARG
SCHEMBL732250 0.92 KDM4C (0.39) FFAR1HIF1APPARG
SCHEMBL732518 0.91 HTT (0.36) FFAR1F10BDKRB1KCNJ6KCNJ5
SCHEMBL732519 0.91 HTT (0.36) FFAR1F10BDKRB1KCNJ6KCNJ5
SCHEMBL731649 0.88 F10 (0.41) FFAR1F10PTGDRPTGDR2MCL1

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 43/4885F10 736/4885HIF1A 2202/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 FFAR1 43/4885F10 736/4885HIF1A 2202/4885

“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.