SCHEMBL3618965

SCHEMBL3618965

COC1(OC)CCN(C(=O)O)CC1=O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.33
CYP3A4 P08684 4/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
USP2 O75604 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 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
SCHEMBL3608181 0.77 MEN1 (0.30) CYP2C19CYP3A4MEN1MAPK1KMT2A
SCHEMBL3608179 0.77 MEN1 (0.30) CYP2C19CYP3A4MEN1MAPK1KMT2A
SCHEMBL1847022 0.75 CRBN (0.34)
SCHEMBL16914308 0.72 CRBN (0.33)
SCHEMBL16914279 0.72 CRBN (0.33) MEN1KMT2A
SCHEMBL16914423 0.69 CRBN (0.34) ALDH1A1
SCHEMBL28819996 0.69
SCHEMBL22440476 0.69 OPRM1 (0.32)
SCHEMBL28018822 0.69
SCHEMBL28170910 0.69 CYP3A4 (0.34) CYP2C19CYP3A4MEN1MAPK1KMT2A

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-20100286181-A1 PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2010-11-11 US disclosed
EP-2064209-A1 PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY AstraZeneca AB (SE) 2009-06-03 EP disclosed
WO-2008020222-A1 PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2008-02-21 WO 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-20100286181-A1 PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY PGLS, UROD, GMPS CYP2C19 191/4885CYP3A4 607/4885MEN1 3485/4885

“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.