SCHEMBL3633237

SCHEMBL3633237

COc1ccc2c(Cl)c(C(=O)NN=Cc3cc(Br)c(O)c(Br)c3)sc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPP1CA P62136 2/20 0.72
MAPT P10636 8/20 0.65
ALDH1A1 P00352 7/20 0.65
KDM4E B2RXH2 6/20 0.65
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
NPSR1 Q6W5P4 3/20 0.65
HPGD P15428 2/20 0.65
LMNA P02545 3/20 0.59
HCRTR1 O43613 1/20 0.59
GAA P10253 2/20 0.56
HTT P42858 2/20 0.54
PRNP P04156 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
PPARG P37231 1/20 0.54
MAPK10 P53779 1/20 0.54
NCOA2 Q15596 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
POLB P06746 2/20 0.53

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
SCHEMBL3633236 1.00 PPP1CA (0.72) PPP1CAMAPTALDH1A1KDM4EMEN1
SCHEMBL1672464 0.88 MAPT (0.62) PPP1CAMAPTALDH1A1KDM4EMEN1
SCHEMBL1672467 0.88 MAPT (0.62) PPP1CAMAPTALDH1A1KDM4EMEN1
SCHEMBL1669273 0.84 OGG1 (0.67) PPP1CAMAPTALDH1A1KDM4EMEN1
SCHEMBL1669270 0.84 OGG1 (0.67) PPP1CAMAPTALDH1A1KDM4EMEN1
SCHEMBL18970426 0.74 MAPT (0.78) PPP1CAMAPTALDH1A1KDM4EMEN1
SCHEMBL18719818 0.73 OGG1 (0.64) PPP1CAMAPTALDH1A1KDM4EMEN1
SCHEMBL8414188 0.73 MAPT (1.00) PPP1CAMAPTALDH1A1KDM4EMEN1
SCHEMBL3632612 0.72 MEN1 (0.46) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL1669427 0.72 MEN1 (0.46) MAPTALDH1A1KDM4EMEN1KMT2A

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 6 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-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
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 PPP1CA 1460/4885MAPT 4663/4885ALDH1A1 2054/4885
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, PKD1, PKD2 PPP1CA 3787/4885MAPT 4853/4885ALDH1A1 2856/4885

“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.