SCHEMBL2625178

SCHEMBL2625178

CCC(C)c1cc(C(F)(F)F)cc(S(=O)(=O)N(C)C2CCCc3c2cnn3CC(=O)O)c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.33
PTGDR Q13258 6/20 0.33
TBXA2R P21731 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
BDKRB1 P46663 1/20 0.31
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
GAA P10253 1/20 0.31
BTK Q06187 2/20 0.31
CYP2C9 P11712 1/20 0.30
GCK P35557 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL702441 0.93 PTGDR2 (0.34) PTGDR2PTGDRTBXA2RL3MBTL1BDKRB1
SCHEMBL702440 0.93 PTGDR2 (0.34) PTGDR2PTGDRTBXA2RL3MBTL1BDKRB1
SCHEMBL2625175 0.91 TRPM2 (0.38) MAPT
SCHEMBL701281 0.90 L3MBTL1 (0.39) PTGDR2PTGDRTBXA2RL3MBTL1LMNA
SCHEMBL701282 0.90 L3MBTL1 (0.39) PTGDR2PTGDRTBXA2RL3MBTL1LMNA
SCHEMBL703449 0.88 GCK (0.35) PTGDR2PTGDRTBXA2RL3MBTL1LMNA
SCHEMBL703447 0.88 GCK (0.35) PTGDR2PTGDRTBXA2RL3MBTL1LMNA
SCHEMBL701378 0.88 GCK (0.36) PTGDR2PTGDRTBXA2RL3MBTL1LMNA
SCHEMBL701379 0.88 GCK (0.36) PTGDR2PTGDRTBXA2RL3MBTL1LMNA
SCHEMBL705375 0.87 L3MBTL1 (0.34) PTGDR2PTGDRTBXA2RL3MBTL1LMNA

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 4 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-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-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.