SCHEMBL1194103

SCHEMBL1194103

CC(=O)Nc1cccc2[nH]c(C)c(Sc3ccc(Cl)cc3)c12

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.55
PTGDR2 Q9Y5Y4 3/20 0.55
TYMS P04818 2/20 0.47
ENPP2 Q13822 1/20 0.42
CYP2C9 P11712 1/20 0.41
S100A4 P26447 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
BLM P54132 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NOD2 Q9HC29 1/20 0.41
PARP14 Q460N5 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL27864170 0.85 PARP14 (0.44) AKR1B1PTGDR2TYMSENPP2CYP2C9
SCHEMBL5350725 0.76 TYMS (0.45) TYMSENPP2CYP2C9ALDH1A1LMNA
SCHEMBL1406039 0.75 PTGDR2 (0.53) AKR1B1PTGDR2TYMSENPP2CYP2C9
SCHEMBL3767411 0.74 PTGDR2 (0.67) AKR1B1PTGDR2CYP2C9S100A4
SCHEMBL2984548 0.73 MEN1 (0.46) TYMSENPP2ALDH1A1LMNAMEN1
SCHEMBL27847166 0.72 PTGDR2 (0.39) AKR1B1PTGDR2TYMSENPP2CYP2C9
SCHEMBL13206681 0.72 PTGDR2 (0.86) AKR1B1PTGDR2CYP2C9
SCHEMBL16240660 0.72 RHEB (0.44)
Azd1981 SCHEMBL30538014 0.71 PTGDR2 (1.00) AKR1B1PTGDR2CYP2C9
Azd1981 SCHEMBL1053662 0.71 PTGDR2 (1.00) AKR1B1PTGDR2CYP2C9

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
CN-102482214-B Intermediates and processes for preparing 4- (acetylamino) -3- [ (4-chloro-phenyl) thio ] -2-methyl-1H-indole-1-acetic acid ASTRAZENECA AB 2014-08-27 CN disclosed
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
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
US-8227622-B2 Pharmaceutical process and intermediates 714 ASTRAZENECA AB (SE) 2012-07-24 US disclosed
CN-102482214-A Intermediates and processes for preparing 4- (acetylamino) -3- [ (4-chloro-phenyl) thio ] -2-methyl-1H-indole-1-acetic acid ASTRAZENECA AB 2012-05-30 CN disclosed
EP-2451780-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) 2012-05-16 EP disclosed
EP-2025670-B1 Use of 3-phenylthio-1H-indole-1-acetic acid derivatives as modulators of CRTh2 receptor activity ASTRAZENECA AB (SE) 2011-03-16 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
US-20110046394-A1 Pharmaceutical Process and Intermediates 714 ASTRAZENECA AB (SE) 2011-02-24 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 AKR1B1 298/4885PTGDR2 3430/4885TYMS 3880/4885

“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.