SCHEMBL3048181

SCHEMBL3048181

CC(=O)OC(c1cn2c(n1)CN(C)CC2)C1(Br)C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=CSC21

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.33
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 0.31
HTR2A P28223 1/20 0.31
ATM Q13315 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL3555614 1.00 PLCG1 (0.33) PLCG1POLBSMN1; SMN2HTTHTR2A
SCHEMBL3555617 1.00 PLCG1 (0.33) PLCG1POLBSMN1; SMN2HTTHTR2A
SCHEMBL2929065 0.93 PLCG1 (0.32) PLCG1SMN1; SMN2HTTHTR2AALDH1A1
SCHEMBL2925751 0.91 ATM (0.34) PLCG1HTTHTR2AATMALDH1A1
SCHEMBL3554113 0.91 ATM (0.34) PLCG1HTTHTR2AATMALDH1A1
SCHEMBL3554106 0.91 ATM (0.34) PLCG1HTTHTR2AATMALDH1A1
SCHEMBL3549897 0.90 TDP1 (0.35) PLCG1SMN1; SMN2ATMALDH1A1
SCHEMBL3044789 0.90 TDP1 (0.35) PLCG1SMN1; SMN2ATMALDH1A1
SCHEMBL3549899 0.90 TDP1 (0.35) PLCG1SMN1; SMN2ATMALDH1A1
SCHEMBL2922953 0.90 PLCG1 (0.33) PLCG1HTTHTR2A

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
EP-1499620-B1 PROCESS FOR PREPARING 6-ALKYLIDENE PENEM DERIVATIVES WYETH CORP (US) 2010-01-27 EP disclosed
EP-1988093-A1 Bicyclic 6-alkylidene-penems as beta-lactamases inhibitors Wyeth a Corporation of the State of Delaware (US) 2008-11-05 EP disclosed
US-20040132708-A1 Process for preparing 6-alkylidene penem derivatives WYETH 2004-07-08 US disclosed
US-20040077622-A1 Bicyclic 5-alkylidene-penems as beta lactamases inhibitors WYETH 2004-04-22 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-20040132708-A1 Process for preparing 6-alkylidene penem derivatives PGM2, BPGM, MRPL21 PLCG1 3678/4885POLB 338/4885SMN1; SMN2 1450/4885
US-20040077622-A1 Bicyclic 5-alkylidene-penems as beta lactamases inhibitors PGLS, BPGM, B2M PLCG1 2492/4885POLB 453/4885SMN1; SMN2 2073/4885

“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.