SCHEMBL6702528

SCHEMBL6702528

CC(=O)OC(c1cnc(-c2cn(C)cn2)n1C)C1(Br)C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=CS[C@@H]21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
PLCG1 P19174 1/20 0.32
HTT P42858 2/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32
RAB9A P51151 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MAPT P10636 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
SCHEMBL3548659 0.80 PLCG1 (0.34) PLCG1HTTL3MBTL1MAPT
SCHEMBL6701541 0.77 POLB (0.32) SMN1; SMN2POLBPLCG1RAB9AL3MBTL1
SCHEMBL3046825 0.77 POLB (0.32) SMN1; SMN2POLBPLCG1RAB9AL3MBTL1
SCHEMBL6268828 0.77 POLB (0.32) SMN1; SMN2POLBPLCG1RAB9AL3MBTL1
SCHEMBL6701542 0.77 POLB (0.32) SMN1; SMN2POLBPLCG1RAB9AL3MBTL1
SCHEMBL6702522 0.77 PLCG1 (0.35) SMN1; SMN2POLBPLCG1KMT2ARAB9A
SCHEMBL3049029 0.77 PLCG1 (0.35) SMN1; SMN2POLBPLCG1KMT2ARAB9A
SCHEMBL6702524 0.77 PLCG1 (0.35) SMN1; SMN2POLBPLCG1KMT2ARAB9A
SCHEMBL679843 0.77 PLCG1 (0.32) SMN1; SMN2POLBPLCG1HTTL3MBTL1
SCHEMBL4794959 0.76 POLB (0.37) SMN1; SMN2POLBPLCG1HTTNPC1

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-20040077622-A1 Bicyclic 5-alkylidene-penems as beta lactamases inhibitors WYETH 2004-04-22 US disclosed
US-20040053913-A1 Process for preparing 6-alkylidene penem derivatives WYETH 2004-03-18 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 (2 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-20040053913-A1 Process for preparing 6-alkylidene penem derivatives PGM2, BPGM, MRPL21 ALKBH5 951/4885SMN1; SMN2 1450/4885POLB 338/4885
US-20040077622-A1 Bicyclic 5-alkylidene-penems as beta lactamases inhibitors PGLS, BPGM, B2M ALKBH5 1521/4885SMN1; SMN2 2073/4885POLB 453/4885

“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.