SCHEMBL732529

SCHEMBL732529

O=C(O)Cn1ncc2c1CCC[C@H]2NCS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2Cl)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.37
PTGER3 P43115 2/20 0.36
PTGDR2 Q9Y5Y4 7/20 0.34
PTGDR Q13258 5/20 0.34
KMO O15229 1/20 0.34
SCN9A Q15858 3/20 0.34
LMNA P02545 2/20 0.33
CHRM1 P11229 1/20 0.33
MAPT P10636 1/20 0.33
DHODH Q02127 1/20 0.33

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
SCHEMBL734330 0.95 PTGER3 (0.35) FFAR1PTGER3PTGDR2PTGDRSCN9A
SCHEMBL734376 0.94 PTGER3 (0.38) PTGER3PTGDR2PTGDR
SCHEMBL731648 0.94 FFAR1 (0.39) FFAR1PTGER3PTGDR2PTGDRSCN9A
SCHEMBL731642 0.93 KDM4C (0.35) LMNADHODH
SCHEMBL732336 0.92 FFAR1 (0.35) FFAR1PTGDR2LMNADHODH
SCHEMBL734416 0.92 SCN9A (0.36) SCN9ADHODH
SCHEMBL733796 0.91 PREP (0.36) FFAR1LMNADHODH
SCHEMBL734409 0.91 SCN9A (0.37) SCN9ADHODH
SCHEMBL732615 0.91 DHODH (0.34) DHODH
SCHEMBL733261 0.90 DHODH (0.36) DHODH

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 43/4885PTGER3 115/4885PTGDR2 16/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 FFAR1 43/4885PTGER3 115/4885PTGDR2 16/4885

“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.