SCHEMBL2998221

SCHEMBL2998221

COCn1c(-c2ccc(Cl)cc2)c(C2CCCCC2)c2sc(C(=O)OC)cc21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.37
SLC6A3 Q01959 7/20 0.36
PTGDR Q13258 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
SLC6A2 P23975 1/20 0.35
CNR1 P21554 3/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TACR1 P25103 1/20 0.33

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
SCHEMBL2994261 0.93 PTGDR2 (0.34) SLC6A3PTGDRPTGDR2CNR1MAPT
SCHEMBL2998826 0.90 KDM4E (0.36) NR1H4KDM4EMAPTCASP3RAB9A
SCHEMBL2999724 0.90 NR1H4 (0.36) NR1H4SLC6A3PTGDRPTGDR2SLC6A2
SCHEMBL2988625 0.87 PTGDR (0.35) NR1H4SLC6A3PTGDRPTGDR2SLC6A2
SCHEMBL2992060 0.84 FABP4 (0.34) CNR1KDM4EMAPTRAB9AKMT2A
SCHEMBL2994921 0.84 EGFR (0.42) KDM4EMEN1KMT2ATACR1
SCHEMBL27662789 0.83 SLC6A3 (0.36) NR1H4SLC6A3PTGDRPTGDR2SLC6A2
SCHEMBL2986521 0.81 NR1H2 (0.36) NR1H4SLC6A3SLC6A2CNR1MAPT
SCHEMBL2156661 0.81 ALDH1A1 (0.34) NR1H4KDM4ENPC1MAPTRAB9A
SCHEMBL2994392 0.81 KDM4E (0.40) NR1H4KDM4EMAPTCASP3MEN1

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 4 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
CN-1849323-A Thienopyrroles as antiviral agents ANGELETTI P IST RICHERCHE BIO (IT) 2006-10-18 CN 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 NR1H4 135/4885SLC6A3 1224/4885PTGDR 981/4885

“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.