SCHEMBL734376

SCHEMBL734376

COc1cc(Cl)ccc1Oc1ccc(S(=O)(=O)CN[C@@H]2CCCc3c2cnn3CC(=O)O)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 1/20 0.38
PTGDR Q13258 7/20 0.38
PTGDR2 Q9Y5Y4 7/20 0.38
TTR P02766 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
KMT2A Q03164 2/20 0.34
HPGD P15428 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL732529 0.94 FFAR1 (0.37) PTGER3PTGDRPTGDR2
SCHEMBL732081 0.93 KMT2A (0.38) PTGER3TTRSMN1; SMN2KMT2AHPGD
SCHEMBL734330 0.90 PTGER3 (0.35) PTGER3PTGDRPTGDR2
SCHEMBL733651 0.90 NPBWR1 (0.37) PTGER3TTRSMN1; SMN2KMT2AHPGD
SCHEMBL731648 0.89 FFAR1 (0.39) PTGER3PTGDRPTGDR2SMN1; SMN2KMT2A
SCHEMBL731642 0.89 KDM4C (0.35) SMN1; SMN2KMT2AHPGDALDH1A1GAA
SCHEMBL732336 0.88 FFAR1 (0.35) PTGDR2KMT2AMEN1CYP3A4
SCHEMBL732615 0.88 DHODH (0.34) KMT2AHPGDALDH1A1GAAKDM4E
SCHEMBL734416 0.88 SCN9A (0.36) TTRSMN1; SMN2KMT2AGAAMEN1
SCHEMBL734248 0.87 KMT2A (0.34) KMT2AHPGDALDH1A1GAAMEN1

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 PTGER3 115/4885PTGDR 12/4885PTGDR2 16/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 PTGER3 115/4885PTGDR 12/4885PTGDR2 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.