SCHEMBL2990690

SCHEMBL2990690

COC(=O)c1sc2c(-c3ccccc3)c(-c3ccc(Cl)cc3)n(CC(=O)OC(C)(C)C)c2c1C1OCCO1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
TP53 P04637 2/20 0.33
CCKBR P32239 1/20 0.32
BRD4 O60885 2/20 0.32
NPSR1 Q6W5P4 4/20 0.32
KDM4E B2RXH2 3/20 0.32
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
PLA2G1B P04054 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
NPC1 O15118 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
ALOX5 P09917 2/20 0.31
PTGS1 P23219 2/20 0.31

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
SCHEMBL2990686 0.85 CCKBR (0.32) MAPTTP53CCKBRBRD4KDM4E
SCHEMBL2997195 0.84 TP53 (0.37) MAPTTP53NPSR1KDM4EGAA
SCHEMBL2988628 0.78 KDM4E (0.38) MAPTTP53NPSR1KDM4EKMT2A
SCHEMBL2982702 0.73 KDM4E (0.39) MAPTTP53NPSR1KDM4EKMT2A
SCHEMBL2998711 0.72 ALDH1A1 (0.42) MAPTNPSR1KDM4EKMT2AALDH1A1
SCHEMBL2997191 0.70 CNR1 (0.36) MAPTNPSR1KDM4EKMT2ANPC1
SCHEMBL2986524 0.68 ALDH1A1 (0.40) MAPTTP53NPSR1KDM4EKMT2A
SCHEMBL2999727 0.67 KDM4E (0.42) MAPTTP53NPSR1KDM4EKMT2A
SCHEMBL2988625 0.66 PTGDR (0.35) CCKBRBRD4
SCHEMBL2995098 0.66 MAPK1 (0.44) MAPTTP53BRD4KDM4EALDH1A1

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 MAPT 4452/4885TP53 2427/4885CCKBR 691/4885

“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.