SCHEMBL4527745

SCHEMBL4527745

CCOC(=O)c1csc(-n2cc(CC(C)C)c3ccc(Br)cc32)n1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 16/20 0.74
PTGER3 P43115 4/20 0.74
TBXA2R P21731 3/20 0.74
OGA O60502 1/20 0.43
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL13533567 0.90 PTGER1 (0.75) PTGER1PTGER3TBXA2ROGAGAA
SCHEMBL3197367 0.89 PTGER1 (0.74) PTGER1PTGER3TBXA2R
SCHEMBL3174081 0.89 PTGER1 (0.74) PTGER1PTGER3TBXA2ROGAGAA
SCHEMBL3181336 0.87 PTGER1 (0.81) PTGER1PTGER3TBXA2R
SCHEMBL4533394 0.86 PTGER1 (0.80) PTGER1PTGER3TBXA2R
SCHEMBL3191392 0.86 PTGER1 (0.72) PTGER1PTGER3TBXA2ROGAGAA
SCHEMBL3184429 0.86 PTGER1 (0.75) PTGER1PTGER3TBXA2ROGAGAA
SCHEMBL3181320 0.79 PTGER1 (0.74) PTGER1PTGER3TBXA2R
SCHEMBL4515303 0.78 PTGER1 (0.67) PTGER1PTGER3TBXA2RNPC1RAB9A
SCHEMBL13533578 0.78 PTGER1 (0.81) PTGER1PTGER3TBXA2R

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016371-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2010-01-21 US disclosed
US-20100016371-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2010-01-21 US disclosed
US-20090298866-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2009-12-03 US disclosed
US-20090298866-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2009-12-03 US disclosed
US-20090298866-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2009-12-03 US disclosed
WO-2008006793-A1 INDOLE COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-17 WO disclosed
WO-2008006790-A1 INDOLE COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-17 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-20100016371-A1 Indole Compounds IDO1, TPH1, IDO2 PTGER1 340/4885PTGER3 341/4885TBXA2R 145/4885
US-20090298866-A1 Indole Compounds IDO1, TPH1, IDO2 PTGER1 317/4885PTGER3 361/4885TBXA2R 199/4885

“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.