SCHEMBL2998707

SCHEMBL2998707

COC(=O)c1cc2c(s1)c(C1CCCCC1)c(-c1ccccc1)n2CC(=O)OC(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 1/20 0.36
ACKR3 P25106 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
CXCR4 P61073 1/20 0.33
MAPK8 P45983 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CPT2 P23786 1/20 0.33
CPT1A P50416 1/20 0.33
HTR4 Q13639 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL2988625 0.91 PTGDR (0.35) NR1H4SLC6A3
SCHEMBL2994392 0.90 KDM4E (0.40) KDM4EALDH1A1NR1H4MAPK8HTT
SCHEMBL2998826 0.86 KDM4E (0.36) KDM4EALDH1A1NR1H4MAPK8HTT
SCHEMBL2157396 0.86 NR1I3 (0.34) KDM4EALDH1A1CXCR4
SCHEMBL2156912 0.84 NR1H4 (0.31) KDM4EALDH1A1NR1H4CXCR4ATM
SCHEMBL2998711 0.84 ALDH1A1 (0.42) KDM4EALDH1A1MAPK8SMN1; SMN2KMT2A
SCHEMBL2996610 0.84 OPRK1 (0.40) KMT2A
SCHEMBL394368 0.82 CNR2 (0.39) KDM4EALDH1A1MAPK8
SCHEMBL2999724 0.82 NR1H4 (0.36) KDM4ENR1H4SLC6A3MAPT
SCHEMBL2996273 0.81 SCN9A (0.38) KDM4E

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 3250/4885ALDH1A1 397/4885ACKR3 546/4885

“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.