SCHEMBL1669459

SCHEMBL1669459

O=C(NN=Cc1cc(Br)c(O)c(Br)c1)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 9/20 0.68
MEN1 O00255 8/20 0.68
KMT2A Q03164 8/20 0.68
SPHK1 Q9NYA1 8/20 0.68
HPGD P15428 2/20 0.68
ALDH1A1 P00352 1/20 0.68
THRB P10828 1/20 0.68
KDM4E B2RXH2 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MAPT P10636 3/20 0.59
RAB9A P51151 1/20 0.59
SMPD1 P17405 1/20 0.59
LMNA P02545 3/20 0.58
ADCYAP1R1 P41586 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CYP1A2 P05177 1/20 0.56
POLB P06746 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56

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
SCHEMBL1669457 1.00 SPHK2 (0.68) SPHK2MEN1KMT2ASPHK1HPGD
SCHEMBL1669397 0.96 MEN1 (0.63) SPHK2MEN1KMT2ASPHK1HPGD
SCHEMBL1669398 0.96 MEN1 (0.63) SPHK2MEN1KMT2ASPHK1HPGD
SCHEMBL1669994 0.89 KMT2A (0.75) SPHK2MEN1KMT2ASPHK1HPGD
SCHEMBL1669996 0.89 KMT2A (0.75) SPHK2MEN1KMT2ASPHK1HPGD
SCHEMBL1670113 0.86 MAPT (0.70) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL1670110 0.86 MAPT (0.70) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL1672364 0.84 MEN1 (0.64) SPHK2MEN1KMT2ASPHK1HPGD
SCHEMBL1672367 0.84 MEN1 (0.64) SPHK2MEN1KMT2ASPHK1HPGD
SCHEMBL1669540 0.83 ASF1A (0.57) SPHK2MEN1KMT2ASPHK1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142498-A2 CFTR INHIBITOR COMPOUNDS AND USES THEREOF Institute for Oneworld Health (US) 2010-01-13 EP claimed
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH 2008-10-30 US claimed
WO-2008121877-A2 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH (US) 2008-10-09 WO claimed
US-8283351-B2 Inhibiting cyctic fibrosis transmembrane conductance regulator polypeptide ; therapy for diarrhea and polycystic kidney disease INSTITUTE FOR ONEWORLD HEALTH (US) 2012-10-09 US disclosed
US-20120219543-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF DISORDERS OF GLUCOSE HOMEOSTASIS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2012-08-30 US disclosed
EP-2490696-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF DISORDERS OF GLUCOSE HOMEOSTASIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2012-08-29 EP disclosed
WO-2011048070-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF DISORDERS OF GLUCOSE HOMEOSTASIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2011-04-28 WO disclosed
EP-2142498-A2 CFTR INHIBITOR COMPOUNDS AND USES THEREOF Institute for Oneworld Health (US) 2010-01-13 EP disclosed
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH 2008-10-30 US disclosed
WO-2008121877-A2 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH (US) 2008-10-09 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-20120219543-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF DISORDERS OF GLUCOSE HOMEOSTASIS CFTR, IAPP, GPR119 SPHK2 3874/4885MEN1 976/4885KMT2A 4121/4885
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, PKD1, PKD2 SPHK2 2704/4885MEN1 2759/4885KMT2A 4688/4885

“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.