SCHEMBL801573

SCHEMBL801573

Cc1c(O)cc2c(C(=O)c3ccc(CC(=O)O)cc3)coc2c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.47
SIRT1 Q96EB6 1/20 0.44
SRD5A2 P31213 4/20 0.42
NPC1 O15118 3/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 1/20 0.41
RECQL P46063 1/20 0.41
MAPT P10636 5/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CHEK1 O14757 1/20 0.40
EGFR P00533 1/20 0.40
KDR P35968 1/20 0.40
CREBBP Q92793 1/20 0.39
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
LMNA P02545 2/20 0.37
NFKB1 P19838 2/20 0.37

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
SCHEMBL802088 0.86 PTGS2 (0.44) PTGS2SIRT1NPC1KMT2ASMN1; SMN2
SCHEMBL801294 0.84 PTGS2 (0.56) PTGS2SIRT1NPC1KMT2ASMN1; SMN2
SCHEMBL290348 0.68 PTGS2 (0.59) PTGS2SIRT1SRD5A2NPC1KMT2A
SCHEMBL290225 0.68 PTGS2 (0.52) PTGS2SIRT1SRD5A2NPC1KMT2A
SCHEMBL801781 0.68 MAPT (0.53) SRD5A2KMT2AMAPTRAB9AMEN1
SCHEMBL290273 0.66 PTGS2 (0.64) PTGS2SIRT1NPC1KMT2ASMN1; SMN2
SCHEMBL289170 0.66 PTGS2 (0.71) PTGS2SIRT1SRD5A2NPC1KMT2A
SCHEMBL290323 0.66 PTGS2 (0.56) PTGS2SIRT1NPC1KMT2ASMN1; SMN2
SCHEMBL290351 0.66 KMT2A (0.54) PTGS2SIRT1NPC1KMT2ASMN1; SMN2
SCHEMBL15471697 0.66 ALDH1A1 (0.61) SRD5A2SMN1; SMN2MAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071523-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2012-03-22 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-20120071523-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS PDF, EIF5B, EIF4E PTGS2 2098/4885SIRT1 1438/4885SRD5A2 2223/4885

“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.