SCHEMBL3632988

SCHEMBL3632988

CC(C)(C)c1cc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)n(Cc2ccc(F)cc2)n1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 6/20 0.62
▸ MAPT P10636 5/20 0.62
▸ MAPK1 P28482 3/20 0.62
▸ ALDH1A1 P00352 3/20 0.61
▸ GAA P10253 3/20 0.55
▸ LMNA P02545 4/20 0.54
▸ HTR1E P28566 1/20 0.51
▸ S1PR3 Q99500 1/20 0.51
▸ KDM4E B2RXH2 3/20 0.47
▸ GLA P06280 1/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ NCOA3 Q9Y6Q9 1/20 0.46
▸ GRN P28799 2/20 0.43
▸ SORT1 Q99523 2/20 0.43
▸ AGTR1 P30556 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL3632991 1.00 NPSR1 (0.62) NPSR1MAPTMAPK1ALDH1A1GAA
SCHEMBL3804271 0.83 NPC1 (0.58) NPSR1MAPTMAPK1ALDH1A1GAA
SCHEMBL4913028 0.83 NPC1 (0.58) NPSR1MAPTMAPK1ALDH1A1GAA
SCHEMBL4490129 0.73 GRN (0.78) NPSR1MAPTMAPK1ALDH1A1GAA
SCHEMBL3628257 0.70 ESRRG (0.67) NPSR1MAPTLMNAKMT2AMEN1
SCHEMBL3628253 0.70 ESRRG (0.67) NPSR1MAPTLMNAKMT2AMEN1
SCHEMBL1898164 0.66 NPSR1 (0.89) NPSR1MAPTMAPK1ALDH1A1GAA
SCHEMBL1669206 0.66 MAPT (0.78) NPSR1MAPTGAALMNAKDM4E
SCHEMBL3630396 0.66 MAPT (0.78) NPSR1MAPTGAALMNAKDM4E
SCHEMBL1672357 0.66 MEN1 (0.78) MAPTLMNAKDM4EKMT2AMEN1

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
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH 2008-10-30 — — US 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-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-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-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
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH 2008-10-30 — — US 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 NPSR1 2638/4885MAPT 4663/4885MAPK1 3174/4885
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, PKD1, PKD2 NPSR1 2994/4885MAPT 4853/4885MAPK1 2060/4885

“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.

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