SCHEMBL2157156

SCHEMBL2157156

COC(=O)Cn1c(Br)c(C2CCCCC2)c2sc(C(=O)OC)cc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 4/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP2D6 P10635 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
PTGDR Q13258 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TP53 P04637 1/20 0.32
CYP2C19 P33261 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
SCHEMBL2157086 0.94 KDM4E (0.35) KDM4ETSHRHSD17B10ALDH1A1HPGD
SCHEMBL2157499 0.92 KDM4E (0.34) KDM4ETSHRHSD17B10ALDH1A1HPGD
SCHEMBL2156912 0.92 NR1H4 (0.31) KDM4ETSHRHSD17B10ALDH1A1HPGD
SCHEMBL2156661 0.88 ALDH1A1 (0.34) KDM4ETSHRHSD17B10ALDH1A1HPGD
SCHEMBL2156701 0.86 ALDH1A1 (0.32) KDM4ETSHRHSD17B10ALDH1A1HPGD
SCHEMBL2156279 0.79 CYP2D6 (0.34) KDM4ETSHRHSD17B10ALDH1A1HPGD
SCHEMBL2156302 0.78 USP30 (0.35) KDM4ETSHRALDH1A1HPGDNPSR1
SCHEMBL2156465 0.78 KDM4E (0.34) KDM4ETSHRHSD17B10MEN1KMT2A
SCHEMBL10293471 0.77 ALDH1A1 (0.44) KDM4ETSHRHSD17B10ALDH1A1HPGD
SCHEMBL2998707 0.76 KDM4E (0.36) KDM4EALDH1A1KMT2AMAPTNR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973026-B2 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-07-05 US disclosed
US-20090105227-A1 Thienopyrroles As Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-04-23 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-20090105227-A1 Thienopyrroles As Antiviral Agents ZC3HAV1, HAVCR2, ZC3HAV1L KDM4E 3275/4885TSHR 118/4885HSD17B10 2452/4885

“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.