SCHEMBL1994522

SCHEMBL1994522

CC1(NC(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
EPHX2 P34913 1/20 0.47
EPHX1 P07099 1/20 0.42
HPGD P15428 1/20 0.41
ANO1 Q5XXA6 1/20 0.41
TSHR P16473 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
ALOX15 P16050 1/20 0.40
ATM Q13315 1/20 0.40
RECQL P46063 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL21789080 0.91 EPHX2 (0.45) USP2SMN1; SMN2EPHX2EPHX1HPGD
SCHEMBL16887631 0.87 CYP4F2 (0.40) USP2SMN1; SMN2EPHX2ANO1
SCHEMBL12437215 0.87 USP2 (0.47) USP2SMN1; SMN2EPHX2EPHX1HPGD
SCHEMBL28668619 0.87 EPHX2 (0.42) USP2SMN1; SMN2EPHX2EPHX1HPGD
SCHEMBL28802869 0.84 SMN1; SMN2 (0.37) USP2SMN1; SMN2EPHX2ANO1TSHR
SCHEMBL28802934 0.84 RORC (0.36) USP2SMN1; SMN2EPHX2ANO1
SCHEMBL3058553 0.83 ANO1 (0.40) USP2SMN1; SMN2EPHX2EPHX1ANO1
SCHEMBL20771261 0.83 MGLL (0.51)
SCHEMBL23642559 0.83 USP2 (0.50) USP2SMN1; SMN2EPHX2EPHX1HPGD
SCHEMBL12440624 0.83 RORC (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 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-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO USP2 4865/4885SMN1; SMN2 2548/4885EPHX2 1264/4885

“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.