SCHEMBL734248

SCHEMBL734248

Cc1ccc(Oc2ccc(S(=O)(=O)CN[C@@H]3CCCc4c3cnn4CC(=O)O)cc2Cl)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
LMNA P02545 3/20 0.34
DHODH Q02127 5/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
RUNX1 Q01196 1/20 0.32
ATM Q13315 1/20 0.32
CBFB Q13951 1/20 0.32
RCE1 Q9Y256 1/20 0.32
TNF P01375 1/20 0.32
NOD1 Q9Y239 1/20 0.32
EPHX2 P34913 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
SCHEMBL732615 0.95 DHODH (0.34) KMT2ADHODHALDH1A1NPC1RAB9A
SCHEMBL732252 0.93 KDM4C (0.36) KMT2AMEN1DHODHNPC1RAB9A
SCHEMBL733261 0.93 DHODH (0.36) DHODHNPC1RAB9ATNFNOD1
SCHEMBL733317 0.92 FFAR1 (0.35) KMT2ADHODHALDH1A1NPC1RAB9A
SCHEMBL732529 0.90 FFAR1 (0.37) LMNADHODH
SCHEMBL731642 0.89 KDM4C (0.35) KMT2ALMNADHODHALDH1A1HPGD
SCHEMBL734416 0.89 SCN9A (0.36) KMT2AMEN1DHODHNPC1RAB9A
SCHEMBL733796 0.88 PREP (0.36) KMT2AMEN1LMNADHODH
SCHEMBL734376 0.87 PTGER3 (0.38) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL733651 0.87 NPBWR1 (0.37) KMT2AMEN1ALDH1A1HPGDKDM4E

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 KMT2A 2156/4885MEN1 4375/4885LMNA 3455/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 KMT2A 2156/4885MEN1 4375/4885LMNA 3455/4885

“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.