SCHEMBL2982702

SCHEMBL2982702

COC(=O)c1sc2c(-c3ccccc3)c(-c3ccc(Cl)cc3)n(CC(=O)O)c2c1C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.37
TP53 P04637 2/20 0.37
NPSR1 Q6W5P4 2/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
KMT2A Q03164 1/20 0.36
AKR1B1 P15121 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
MDM2 Q00987 1/20 0.35
AR P10275 2/20 0.35
ALOX5 P09917 1/20 0.35

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
SCHEMBL2982698 0.81 KDM4E (0.35) KDM4ERAB9AMAPTNPSR1NPC1
SCHEMBL2985148 0.80 MCHR1 (0.37) PLA2G1BATG4B
SCHEMBL2999727 0.77 KDM4E (0.42) KDM4EHPGDRAB9AMAPTTP53
SCHEMBL2990746 0.76 ALDH1A1 (0.34) KDM4EHPGDRAB9AALDH1A1MAPT
SCHEMBL2986643 0.75 RAB9A (0.41) KDM4ERAB9AALDH1A1MAPTTP53
SCHEMBL2990690 0.73 MAPT (0.33) KDM4ERAB9AALDH1A1MAPTTP53
SCHEMBL2997195 0.71 TP53 (0.37) KDM4ERAB9AMAPTTP53NPSR1
SCHEMBL2987823 0.71 SLC6A3 (0.34) KDM4ERAB9AMAPTNPSR1NPC1
SCHEMBL2994395 0.70 KDM4E (0.47) KDM4EHPGDALDH1A1MAPTNPSR1
SCHEMBL2998225 0.69 DRD2 (0.39) KDM4ERAB9AALDH1A1MAPTTP53

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
US-7781431-B2 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2010-08-24 US disclosed
US-20090036443-A1 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2009-02-05 US disclosed
EP-1664059-B1 THIENOPYRROLES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2007-09-12 EP 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-20090036443-A1 Thienopyrroles as antiviral agents ZC3HAV1, XDH, TPMT KDM4E 3250/4885HPGD 1863/4885RAB9A 1953/4885

“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.