SCHEMBL9966856

SCHEMBL9966856

Fc1cc2c(cc1Br)OCCCO2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
HPGD P15428 1/20 0.47
PKM P14618 3/20 0.44
NPC1 O15118 3/20 0.41
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL4 Q8NA19 1/20 0.41
MAOB P27338 2/20 0.38
PKLR P30613 2/20 0.37
MAPT P10636 3/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
BLM P54132 1/20 0.35
BACE1 P56817 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM1A O60341 1/20 0.33
KCNH2 Q12809 1/20 0.33
KDM1B Q8NB78 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
SCHEMBL17206884 0.96 SMN1; SMN2 (0.47) SMN1; SMN2HPGDPKMNPC1ALDH1A1
SCHEMBL15045882 0.91 PKM (0.47) SMN1; SMN2HPGDPKMNPC1ALDH1A1
SCHEMBL30486530 0.91 PKM (0.47) SMN1; SMN2HPGDPKMNPC1ALDH1A1
SCHEMBL1856539 0.84 SMN1; SMN2 (0.61) SMN1; SMN2HPGDNPC1ALDH1A1RAB9A
SCHEMBL8257515 0.82 PKM (0.40) HPGDPKMALDH1A1MAPTHTT
SCHEMBL4354029 0.80 SMN1; SMN2 (0.39) SMN1; SMN2HPGDPKMNPC1ALDH1A1
SCHEMBL14576619 0.80 CTNNB1 (0.38) SMN1; SMN2HPGDPKMMAOBBACE1
SCHEMBL16481376 0.77 SMN1; SMN2 (0.37) SMN1; SMN2HPGDPKMNPC1ALDH1A1
SCHEMBL17086606 0.75 NPC1 (0.38) PKMNPC1RAB9AMAOBMAPT
SCHEMBL15192882 0.75 MAP3K5 (0.40) SMN1; SMN2HPGDPKMALDH1A1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794586-B1 NEW AZIRIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS ACETYL-COA CARBOXYLASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-04-20 EP disclosed
US-9169205-B2 Pyrrolidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-27 US disclosed
US-9169205-B2 Pyrrolidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-27 US disclosed
US-9006450-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-14 US disclosed
US-9006450-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-14 US disclosed
US-8530460-B2 Azetidine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-10 US disclosed
US-8530460-B2 Azetidine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-10 US disclosed
WO-2013092616-A1 NEW AZIRIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS ACETYL-COA CARBOXYLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-27 WO disclosed
US-20130158004-A1 Azetidine Derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 US disclosed
US-20130158004-A1 Azetidine Derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 US disclosed
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 US disclosed
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 US disclosed
WO-2012001107-A1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 WO 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-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF P2RX5, P2RX3, ABCG2 SMN1; SMN2 4388/4885HPGD 123/4885PKM 473/4885
US-20130158004-A1 Azetidine Derivatives GPR119, LIPE, LPL SMN1; SMN2 2984/4885HPGD 1619/4885PKM 4132/4885

“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.