SCHEMBL904388

SCHEMBL904388

CCOC(=O)Cn1c(C)c(Sc2ccc(Cl)cc2)c2c(NC(C)=O)cccc21

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.79
AKR1B1 P15121 8/20 0.79
CYP2C9 P11712 2/20 0.59
SLC6A4 P31645 1/20 0.46

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
SCHEMBL4250963 0.89 PTGDR2 (0.62) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL13206681 0.89 PTGDR2 (0.86) PTGDR2AKR1B1CYP2C9SLC6A4
Azd1981 SCHEMBL30538014 0.88 PTGDR2 (1.00) PTGDR2AKR1B1CYP2C9SLC6A4
Azd1981 SCHEMBL1053662 0.88 PTGDR2 (1.00) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL27970100 0.85 PTGDR2 (0.72) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL3564285 0.84 PTGDR2 (0.65) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL11891652 0.84 PTGDR2 (0.61) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL11891659 0.83 PTGDR2 (0.66) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL13224608 0.82 PTGDR2 (0.59) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL11891653 0.81 PTGDR2 (0.57) PTGDR2AKR1B1CYP2C9SLC6A4

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-2451780-B1 INTERMEDIATES AND PROCESSES FOR THE PREPARATION OF 4-(ACETYLAMINO))-3-[(4-CHLORO-PHENYL)THIO]-2-METHYL-1H-INDOLE-1-ACETIC ACID ASTRAZENECA AB (SE) 2013-06-19 EP disclosed
US-8227622-B2 Pharmaceutical process and intermediates 714 ASTRAZENECA AB (SE) 2012-07-24 US disclosed
US-8227622-B2 Pharmaceutical process and intermediates 714 ASTRAZENECA AB (SE) 2012-07-24 US disclosed
EP-2281815-B1 4-(Acetylamino)-3-[(4-chlorophenyl)thio]-2-methyl-1H-indole-1-acetic acid ethyl ester intermediate compound ASTRAZENECA AB (SE) 2012-04-04 EP disclosed
US-20110046394-A1 Pharmaceutical Process and Intermediates 714 ASTRAZENECA AB (SE) 2011-02-24 US disclosed
US-20110046394-A1 Pharmaceutical Process and Intermediates 714 ASTRAZENECA AB (SE) 2011-02-24 US disclosed
EP-2281815-A1 4-(Acetylamino)-3-[(4-chlorophenyl)thio]-2-methyl-1H-indole-1-acetic acid ethyl ester intermediate compound AstraZeneca AB (SE) 2011-02-09 EP disclosed
WO-2011004182-A1 INTERMEDIATES AND PROCESSES FOR THE PREPARATION OF 4- (ACETYLAMINO) ) -3- [ (4-CHLORO-PHENYL) THIO] -2-METHYL-1H-INDOLE-1-ACETIC ACID ASTRAZENECA AB (SE) 2011-01-13 WO disclosed
WO-2011004182-A1 INTERMEDIATES AND PROCESSES FOR THE PREPARATION OF 4- (ACETYLAMINO) ) -3- [ (4-CHLORO-PHENYL) THIO] -2-METHYL-1H-INDOLE-1-ACETIC ACID ASTRAZENECA AB (SE) 2011-01-13 WO disclosed
US-7781598-B2 Process for the preparation of substituted indoles ASTRAZENECA AB (SE) 2010-08-24 US disclosed
US-7781598-B2 Process for the preparation of substituted indoles ASTRAZENECA AB (SE) 2010-08-24 US disclosed
US-20080051586-A1 Novel Process for the Preparation of Substituted Indoles ASTRAZENECA AB (SE) 2008-02-28 US disclosed
US-20080051586-A1 Novel Process for the Preparation of Substituted Indoles ASTRAZENECA AB (SE) 2008-02-28 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-20110046394-A1 Pharmaceutical Process and Intermediates 714 CYP3A4, CYP4A11, CYP4B1 PTGDR2 3430/4885AKR1B1 298/4885CYP2C9 10/4885
US-20080051586-A1 Novel Process for the Preparation of Substituted Indoles IDO1, IDO2, TPH1 PTGDR2 390/4885AKR1B1 341/4885CYP2C9 124/4885

“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.