SCHEMBL733670

SCHEMBL733670

CN(C1CCCc2c1cnn2CC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.35
F10 P00742 2/20 0.35
FFAR1 O14842 3/20 0.35
KMO O15229 1/20 0.32
GHSR Q92847 1/20 0.32
NPBWR1 P48145 3/20 0.32
CPT1A P50416 1/20 0.32
CPT1B Q92523 1/20 0.32
BDKRB1 P46663 2/20 0.32
PTGDR2 Q9Y5Y4 3/20 0.32
HTR6 P50406 1/20 0.32
MMP12 P39900 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
SCHEMBL733669 1.00 LTA4H (0.35) LTA4HF10FFAR1KMOGHSR
SCHEMBL732241 0.92 FFAR1 (0.40) F10FFAR1KMOBDKRB1PTGDR2
SCHEMBL732242 0.92 FFAR1 (0.40) F10FFAR1KMOBDKRB1PTGDR2
SCHEMBL734614 0.91 HTT (0.34) F10GHSR
SCHEMBL734613 0.91 HTT (0.34) F10GHSR
SCHEMBL732249 0.90 KDM4C (0.39) FFAR1NPBWR1
SCHEMBL732250 0.90 KDM4C (0.39) FFAR1NPBWR1
SCHEMBL734511 0.88 HIF1A (0.36) FFAR1PTGDR2
SCHEMBL734512 0.88 HIF1A (0.36) FFAR1PTGDR2
SCHEMBL701623 0.86 HCRTR1 (0.36) F10KMOPTGDR2

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 LTA4H 17/4885F10 736/4885FFAR1 43/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 LTA4H 17/4885F10 736/4885FFAR1 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.