SCHEMBL733262

SCHEMBL733262

Cc1ccccc1Oc1ccc(S(=O)(=O)N(C)[C@@H]2CCCc3c2cnn3CC(=O)O)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.35
PTGDR2 Q9Y5Y4 7/20 0.34
PTGDR Q13258 6/20 0.34
TBXA2R P21731 4/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
KDM4C Q9H3R0 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP2C9 P11712 1/20 0.33
KDM4E B2RXH2 1/20 0.33
FFAR1 O14842 1/20 0.33
PPARG P37231 1/20 0.33
KMT2A Q03164 1/20 0.33
SCN1A P35498 1/20 0.32
SCN8A Q9UQD0 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
SCHEMBL733263 1.00 F10 (0.35) F10PTGDR2PTGDRTBXA2RGAA
SCHEMBL731643 0.95 F10 (0.36) F10PTGDR2PTGDRTBXA2RGAA
SCHEMBL731644 0.95 F10 (0.36) F10PTGDR2PTGDRTBXA2RGAA
SCHEMBL732254 0.92 PTGDR2 (0.37) F10PTGDR2PTGDRTBXA2RKDM4C
SCHEMBL732253 0.92 PTGDR2 (0.37) F10PTGDR2PTGDRTBXA2RKDM4C
SCHEMBL734604 0.92 PTGDR2 (0.36) F10PTGDR2PTGDRTBXA2RCYP2C9
SCHEMBL734605 0.92 PTGDR2 (0.36) F10PTGDR2PTGDRTBXA2RCYP2C9
SCHEMBL734249 0.92 POLB (0.36) F10PTGDR2PTGDRGAAMAPK1
SCHEMBL734250 0.92 POLB (0.36) F10PTGDR2PTGDRGAAMAPK1
SCHEMBL733798 0.92 F10 (0.38) F10PTGDR2PTGDRTBXA2RGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8420675-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2013-04-16 US disclosed
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-20120101131-A1 Aminotetrahydroindazoloacetic Acids CHEN LI (CN) 2012-04-26 US 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-8138208-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-03-20 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
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 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 F10 736/4885PTGDR2 16/4885PTGDR 12/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 F10 736/4885PTGDR2 16/4885PTGDR 12/4885

“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.