SCHEMBL3254246

SCHEMBL3254246

COc1ccccc1C(=O)Nc1cccc2cc(C(=O)O)sc12

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.57
TSHR P16473 2/20 0.57
MAPT P10636 2/20 0.57
MAPK1 P28482 1/20 0.57
HSD17B10 Q99714 1/20 0.57
KMT2A Q03164 4/20 0.55
RAB9A P51151 4/20 0.55
MEN1 O00255 3/20 0.55
POLB P06746 1/20 0.53
KCNK3 O14649 2/20 0.52
KCNK9 Q9NPC2 2/20 0.52
RXFP1 Q9HBX9 4/20 0.51
NPC1 O15118 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KCNMA1 Q12791 1/20 0.50
TP53 P04637 1/20 0.49

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
SCHEMBL1850788 0.81 CA2 (0.53) HSD17B10KMT2ARAB9AMEN1NPC1
SCHEMBL13797947 0.77 MAPK14 (0.69) TSHRMAPK1KMT2ARAB9AMEN1
SCHEMBL27848838 0.77 KMT2A (0.77) GAATSHRMAPTMAPK1HSD17B10
SCHEMBL6284804 0.76 CA2 (0.49) TSHRHSD17B10KMT2ARAB9AMEN1
SCHEMBL15697569 0.76 BCL2L1 (0.46) HSD17B10KMT2ARAB9AMEN1NPC1
SCHEMBL6284802 0.76 LMNA (0.51) MAPTRAB9APOLBRXFP1NPC1
Anthranilamide SCHEMBL6284801 0.75 CA2 (0.43) MAPTHSD17B10KMT2ARAB9APOLB
SCHEMBL12368122 0.75 KMT2A (0.79) GAATSHRMAPTMAPK1HSD17B10
SCHEMBL11593001 0.75 KMT2A (0.69) GAATSHRMAPTMAPK1HSD17B10
SCHEMBL5928993 0.74 TSHR (1.00) GAATSHRMAPTMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497278-B1 HETEROCYCLIC AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2010-05-26 EP disclosed
US-7550461-B2 Benzofuran and benzothiophene compounds useful in treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 US disclosed
US-20030225053-A1 Compounds useful in treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-04 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 (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-20030225053-A1 Compounds useful in treating cytokine mediated diseases IL6, IL1A, IL1B GAA 1791/4885TSHR 1787/4885MAPT 3717/4885

“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.