SCHEMBL1194101

SCHEMBL1194101

CC(=O)Nc1cccc2c1cc(C)n2CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.49
THRB P10828 2/20 0.49
PTGDR2 Q9Y5Y4 5/20 0.49
AKR1B1 P15121 2/20 0.49
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GLA P06280 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
STAT3 P40763 1/20 0.43
TSPO P30536 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
VCP P55072 1/20 0.41

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
SCHEMBL13206684 0.90 THRA (0.46) THRATHRBPTGDR2AKR1B1KDM4E
SCHEMBL1757820 0.85 RAB9A (0.60) THRATHRBKDM4ELMNAALDH1A1
SCHEMBL27847165 0.83 KDM4E (0.47) THRATHRBPTGDR2AKR1B1KDM4E
SCHEMBL15047970 0.83 THRA (0.44) THRATHRBPTGDR2AKR1B1KDM4E
SCHEMBL3561181 0.82 PTGDR2 (0.53) THRATHRBPTGDR2AKR1B1KDM4E
SCHEMBL28815311 0.80 KDM4E (0.57) PTGDR2AKR1B1KDM4ELMNASMN1; SMN2
SCHEMBL2988492 0.77 KDM4E (0.51) THRBPTGDR2AKR1B1KDM4ELMNA
SCHEMBL2979855 0.76 CCR2 (0.52) KDM4ELMNASMN1; SMN2GLAALDH1A1
SCHEMBL3763223 0.76 GAA (0.49) PTGDR2AKR1B1KDM4ELMNASMN1; SMN2
SCHEMBL1055122 0.75 POLB (0.42) THRATHRBKDM4EALDH1A1MAPK1

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 23 patents — showing the first 20. 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
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
US-20120178764-A1 Novel Compounds BONNERT ROGER (GB) 2012-07-12 US 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
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
US-7781598-B2 Process for the preparation of substituted indoles ASTRAZENECA AB (SE) 2010-08-24 US disclosed
US-7687535-B2 Substituted 3-sulfur indoles ASTRAZENECA AB (SE) 2010-03-30 US disclosed
US-20090163518-A1 Novel Compounds ASTRAZENECA AB (SE) 2009-06-25 US disclosed
EP-2025670-A1 3-(Phenyl or quinolyl)thio-1H-indole-1-acetic acid derivatives as modulators of CRTh2 receptor activity AstraZeneca AB (SE) 2009-02-18 EP disclosed
US-20080249110-A1 Novel Substituted 3-Sulfur Indoles ASTRAZENECA AB (SE) 2008-10-09 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
US-20080051586-A1 Novel Process for the Preparation of Substituted Indoles ASTRAZENECA AB (SE) 2008-02-28 US disclosed
EP-1844012-A2 NOVEL PROCESS FOR THE PREPARATION OF SUBSTITUTED INDOLES AstraZeneca AB (SE) 2007-10-17 EP disclosed
WO-2006075139-A2 NOVEL PROCESS FOR THE PREPARATION OF SUBSTITUTED INDOLES ASTRAZENECA AB (SE) 2006-07-20 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 (5 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 THRA 2549/4885THRB 2833/4885PTGDR2 3430/4885
US-20080051586-A1 Novel Process for the Preparation of Substituted Indoles IDO1, IDO2, TPH1 THRA 3479/4885THRB 2726/4885PTGDR2 390/4885
US-20120178764-A1 Novel Compounds IDO1, IDO2, MTNR1A THRA 2266/4885THRB 1196/4885PTGDR2 227/4885
US-20090163518-A1 Novel Compounds IDO1, IDO2, MTNR1A THRA 2266/4885THRB 1196/4885PTGDR2 227/4885
US-20080249110-A1 Novel Substituted 3-Sulfur Indoles IDO1, IDO2, AANAT THRA 2079/4885THRB 1057/4885PTGDR2 885/4885

“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.