SCHEMBL731671

SCHEMBL731671

COc1cc(F)ccc1Oc1ncc(S(=O)(=O)CN[C@@H]2CCCc3c2cnn3CC(=O)O)cc1Br

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
TTR P02766 1/20 0.37
KMT2A Q03164 1/20 0.37
CCNT1 O60563 7/20 0.36
CDK9 P50750 7/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
NR2F2 P24468 1/20 0.35
RAB9A P51151 1/20 0.35
DHODH Q02127 1/20 0.34
POLB P06746 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
SCHEMBL731686 0.93 RAB9A (0.37) KMT2APTGDR2NR2F2RAB9ADHODH
SCHEMBL733186 0.92 SCN9A (0.36) MEN1TTRKMT2ACCNT1CDK9
SCHEMBL734121 0.89 PTGDR2 (0.36) KMT2APTGDR2NR2F2RAB9ADHODH
SCHEMBL733248 0.88 SCN9A (0.35) MEN1TTRKMT2ADHODH
SCHEMBL732625 0.86 KDM4C (0.34) MEN1KMT2ADHODH
SCHEMBL734194 0.86 FFAR1 (0.33) PTGDR2DHODHPOLB
SCHEMBL732081 0.86 KMT2A (0.38) MEN1TTRKMT2ACCNT1CDK9
SCHEMBL733713 0.84 SCN9A (0.34) DHODH
SCHEMBL731672 0.84 PTGDR2 (0.35) MEN1TTRKMT2ACCNT1CDK9
SCHEMBL731673 0.84 PTGDR2 (0.35) MEN1TTRKMT2ACCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420675-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2013-04-16 US claimed
EP-2307383-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2012-05-16 EP claimed
US-20120101131-A1 Aminotetrahydroindazoloacetic Acids CHEN LI (CN) 2012-04-26 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 MEN1 4375/4885TTR 3197/4885KMT2A 2156/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 MEN1 4375/4885TTR 3197/4885KMT2A 2156/4885

“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.