SCHEMBL2272896

SCHEMBL2272896

COc1cc(CC(O)=S)cc(OC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.55
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
TUBB4A P04350 4/20 0.46
TUBB P07437 4/20 0.46
TUBA3C P0DPH7 4/20 0.46
TUBA1B P68363 4/20 0.46
TUBA4A P68366 4/20 0.46
TUBB4B P68371 4/20 0.46
TUBB3 Q13509 4/20 0.46
TUBB2A Q13885 4/20 0.46
TUBB8 Q3ZCM7 4/20 0.46
TUBA3E Q6PEY2 4/20 0.46
TUBA1A Q71U36 4/20 0.46
TUBA1C Q9BQE3 4/20 0.46
TUBB6 Q9BUF5 4/20 0.46
TUBB2B Q9BVA1 4/20 0.46

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
SCHEMBL11290656 0.82 PTGS2 (0.53) PTGS2HTR2AHTR2CHTR2BCYP3A4
SCHEMBL28083679 0.82 PTGS2 (0.53) PTGS2HTR2AHTR2CHTR2BCYP3A4
SCHEMBL2336218 0.81 PTGS2 (0.57) PTGS2HTR2AHTR2CHTR2BMAPT
SCHEMBL499116 0.80 GAA (0.61) PTGS2HTR2AHTR2CHTR2BCYP3A4
SCHEMBL6845422 0.79 PTGS2 (0.59) PTGS2HTR2AHTR2CHTR2BCYP3A4
Hydrochloric Acid SCHEMBL4002124 0.78 GAA (0.59) PTGS2HTR2AHTR2CHTR2BCYP3A4
SCHEMBL4683243 0.78 KDM4E (0.55) PTGS2HTR2AHTR2CHTR2BCYP3A4
SCHEMBL2399663 0.78 CA2 (0.59) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL7046945 0.78 PTGS2 (0.57) PTGS2HTR2AHTR2CHTR2BCYP3A4
SCHEMBL9341764 0.77 KMT2A (0.54) PTGS2HTR2AHTR2CHTR2BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9521845-B2 Beta-lactones as antibacterial agents LUDWIG-MAXIMILIANS-UNIVERSITÄT-MÜNCHEN (DE) 2016-12-20 US disclosed
US-20140163094-A1 BETA-LACTONES AS ANTIBACTERIAL AGENTS LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2014-06-12 US disclosed
US-8669283-B2 Beta-lactones as antibacterial agents LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2014-03-11 US disclosed
US-8563598-B2 2013-10-22 US disclosed
US-20110196027-A1 BETA-LACTONES AS ANTIBACTERIAL AGENTS LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN 2011-08-11 US disclosed
EP-2254574-A1 BETA-LACTONES AS ANTIBACTERIAL AGENTS Ludwig-Maximilians-Universität München (DE) 2010-12-01 EP disclosed
WO-2009106211-A1 BETA-LACTONES AS ANTIBACTERIAL AGENTS LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2009-09-03 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 (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-20140163094-A1 BETA-LACTONES AS ANTIBACTERIAL AGENTS ALG8, PGLS, GLA PTGS2 1607/4885HTR2A 4854/4885HTR2C 4877/4885
US-20110196027-A1 BETA-LACTONES AS ANTIBACTERIAL AGENTS ALG8, PGLS, GLA PTGS2 1607/4885HTR2A 4854/4885HTR2C 4877/4885

“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.