SCHEMBL733900

SCHEMBL733900

CC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)CN[C@@H]3CCCc4c3cnn4CC(=O)O)cc2Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP2 P08253 3/20 0.36
MMP9 P14780 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
MMP8 P22894 1/20 0.36
MMP14 P50281 1/20 0.36
PLA2G7 Q13093 8/20 0.35
ESRRA P11474 1/20 0.34
FFAR1 O14842 1/20 0.33
RORC P51449 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
SCHEMBL733317 0.91 FFAR1 (0.35) GAAKMT2AALDH1A1FFAR1
SCHEMBL732836 0.91 GCK (0.37) FFAR1
SCHEMBL733651 0.91 NPBWR1 (0.37) MEN1GAAPKMKMT2AALDH1A1
SCHEMBL731648 0.91 FFAR1 (0.39) KMT2AMMP2MMP9ALDH1A1FFAR1
SCHEMBL733796 0.90 PREP (0.36) MEN1KMT2AFFAR1
SCHEMBL734491 0.90 FFAR1 (0.35) MEN1GAAKMT2AFFAR1
SCHEMBL3168499 0.90 FFAR1 (0.35) MEN1GAAKMT2AFFAR1
SCHEMBL734027 0.90 FFAR1 (0.35) MEN1GAAKMT2AFFAR1
SCHEMBL731661 0.89 NPC1 (0.37) MEN1KMT2A
SCHEMBL734646 0.88 OPRK1 (0.39) KMT2AALDH1A1FFAR1

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 MEN1 4375/4885GAA 1669/4885PKM 2905/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 MEN1 4375/4885GAA 1669/4885PKM 2905/4885

“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.