SCHEMBL3727014

SCHEMBL3727014

CCOP(=S)(OCC)OCCN(CC)CC

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
POLB P06746 1/20 0.36
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.30
SCN1A P35498 1/20 0.30
SCN2A Q99250 1/20 0.30
SCN3A Q9NY46 1/20 0.30
EBP Q15125 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL21981138 0.81 MEN1 (0.35) MEN1KMT2ATDP1POLBGAA
SCHEMBL28525785 0.80 TDP1 (0.50) MEN1KMT2ATDP1
SCHEMBL955824 0.79 MEN1 (0.34) MEN1KMT2APOLBGAACYP2C9
SCHEMBL22733778 0.76 LPAR3 (0.48) MEN1KMT2APOLBLMNAEBP
SCHEMBL3826872 0.75 TDP1 (0.56) MEN1KMT2ATDP1POLBGAA
SCHEMBL5961193 0.70 CYP3A4 (0.48) MEN1KMT2APOLBGAACYP2C9
SCHEMBL1604996 0.70 MEN1 (0.54) MEN1KMT2ATDP1
SCHEMBL16660508 0.69 CYP3A4 (0.39) MEN1KMT2APOLBSCN1ASCN2A
SCHEMBL16482959 0.68 KMT2A (0.39) MEN1KMT2APOLBGAACYP2C9
SCHEMBL4564740 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102459604-B DFP enzyme from California sea rabbits 诺维信公司 2016-08-17 CN claimed
US-11325100-B2 Bisphenol hypersorbents for enhanced detection of, or protection from, hazardous chemicals THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2022-05-10 US disclosed
US-20190134601-A1 BISPHENOL HYPERSORBENTS FOR ENHANCED DETECTION OF, OR PROTECTION FROM, HAZARDOUS CHEMICALS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2019-05-09 US disclosed
CN-106434596-A DFPASE ENZYMES FROM APLYSIA CALIFORNICA 诺维信公司 2017-02-22 CN disclosed
CN-102459604-B DFP enzyme from California sea rabbits 诺维信公司 2016-08-17 CN disclosed
CN-102459604-A DFP enzyme from California sea rabbits NOVOZYMES AS 2012-05-16 CN disclosed
CN-102414316-A DFP enzyme from octopus vulgaris NOVOZYMES AS 2012-04-11 CN disclosed
US-20100168030-A1 Methods and compositions for treatment of organophosphate-caused pathology ARMY, UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE 2010-07-01 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-20190134601-A1 BISPHENOL HYPERSORBENTS FOR ENHANCED DETECTION OF, OR PROTECTION FROM, HAZARDOUS CHEMICALS SHBG, GSTP1, GSTA2 MEN1 4724/4885KMT2A 3547/4885TDP1 3150/4885
US-11325100-B2 Bisphenol hypersorbents for enhanced detection of, or protection from, hazardous chemicals SHBG, GSTP1, GSTA2 MEN1 4724/4885KMT2A 3547/4885TDP1 3150/4885

“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.