SCHEMBL6735720

SCHEMBL6735720

COc1ccc(/C=C/c2c(Cc3ccccc3)sc3ccccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.53
TRPA1 O75762 1/20 0.49
PTPN1 P18031 5/20 0.46
LTA4H P09960 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
CNR2 P34972 3/20 0.43
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NFE2L2 Q16236 2/20 0.42
RELA Q04206 1/20 0.42
SNCA P37840 1/20 0.41
CNR1 P21554 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL6735723 1.00 HSP90AA1 (0.53) HSP90AA1TRPA1PTPN1LTA4HMEN1
SCHEMBL6735726 1.00 HSP90AA1 (0.53) HSP90AA1TRPA1PTPN1LTA4HMEN1
SCHEMBL7776300 0.76 HSP90AA1 (0.83) HSP90AA1TRPA1MEN1KMT2AALDH1A1
SCHEMBL6735214 0.74 MEN1 (0.56) PTPN1LTA4HMEN1KMT2ACNR2
SCHEMBL6735349 0.73 PTPN1 (0.44) PTPN1ALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL38663749 0.73 TRPA1 (0.70) TRPA1MEN1KMT2AKDM4EALDH1A1
SCHEMBL27746923 0.73 TRPA1 (0.70) TRPA1MEN1KMT2AKDM4EALDH1A1
SCHEMBL6337585 0.72 CNR2 (0.75) PTPN1LTA4HMEN1KMT2AALDH1A1
SCHEMBL11731930 0.72 PTPN1 (0.46) PTPN1LTA4HMEN1KMT2AKDM4E
SCHEMBL6958158 0.71 TDP1 (0.49) PTPN1LTA4HMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6683107-B2 THERAPY OF METABOLISM DISORDERS WYETH 2004-01-27 US disclosed
US-20030073709-A1 Furans, benzofurans, and thiophenes useful in the treatment of insulin resistance and hyperglycemia WYETH 2003-04-17 US disclosed
US-6451845-B1 ANTIDIABETIC AGENTS WYETH 2002-09-17 US disclosed
US-20020035272-A1 Furans, benzofurans, and thiophenes useful in the treatment of insulin resistance and hyperglycemia AMERICAN HOME PRODUCTS CORPORATION 2002-03-21 US disclosed
US-6248764-B1 ANTIDIABETIC AGENT; HYPOGLYCEMIC AGENT AMERICAN HOME PRODUCTS CORPORATION 2001-06-19 US disclosed
US-6103708-A USEFUL IN TREATING METABOLIC DISORDERS RELATED TO INSULIN RESISTANCE OR HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 2000-08-15 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-20030073709-A1 Furans, benzofurans, and thiophenes useful in the treatment of insulin resistance and hyperglycemia GPR119, INSR, FFAR3 HSP90AA1 3332/4885TRPA1 2399/4885PTPN1 178/4885
US-20020035272-A1 Furans, benzofurans, and thiophenes useful in the treatment of insulin resistance and hyperglycemia INSR, GPR119, FFAR3 HSP90AA1 3727/4885TRPA1 2601/4885PTPN1 200/4885

“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.