SCHEMBL700780

SCHEMBL700780

CN([C@@H]1CCCc2c1cnn2CC(=O)O)S(=O)(=O)c1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 0.38
PTGDR Q13258 10/20 0.38
TBXA2R P21731 7/20 0.38
CYP2C9 P11712 2/20 0.36
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KCNH2 Q12809 1/20 0.34
RORC P51449 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
SCHEMBL700781 1.00 PTGDR2 (0.38) PTGDR2PTGDRTBXA2RCYP2C9PSEN1
SCHEMBL701281 0.95 L3MBTL1 (0.39) PTGDR2PTGDRTBXA2RCYP2C9L3MBTL1
SCHEMBL701282 0.95 L3MBTL1 (0.39) PTGDR2PTGDRTBXA2RCYP2C9L3MBTL1
SCHEMBL700517 0.92 CNR1 (0.36) PTGDR2PTGDRTBXA2RCYP2C9L3MBTL1
SCHEMBL700518 0.92 CNR1 (0.36) PTGDR2PTGDRTBXA2RCYP2C9L3MBTL1
SCHEMBL700546 0.91 L3MBTL1 (0.36) PTGDR2PTGDRTBXA2RCYP2C9L3MBTL1
SCHEMBL702053 0.91 PTGDR2 (0.35) PTGDR2PTGDRTBXA2RCYP2C9L3MBTL1
SCHEMBL700547 0.91 L3MBTL1 (0.36) PTGDR2PTGDRTBXA2RCYP2C9L3MBTL1
SCHEMBL702052 0.91 PTGDR2 (0.35) PTGDR2PTGDRTBXA2RCYP2C9L3MBTL1
SCHEMBL14864183 0.91 CETP (0.35) PTGDR2PTGDRTBXA2RPSEN1PSEN2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268870-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-09-18 US disclosed
US-8268870-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-09-18 US disclosed
US-8268870-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-09-18 US disclosed
US-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI (CN) 2012-04-19 US disclosed
US-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI (CN) 2012-04-19 US disclosed
US-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI (CN) 2012-04-19 US disclosed
US-8124641-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
US-8124641-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
US-8124641-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
EP-2307382-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2011-12-21 EP disclosed
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US disclosed
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US disclosed
US-20100016368-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-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 PTGDR2 15/4885PTGDR 11/4885TBXA2R 8/4885
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 PTGDR2 15/4885PTGDR 11/4885TBXA2R 8/4885

“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.