SCHEMBL2436922

SCHEMBL2436922

CS(=O)(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.56
KLK7 P49862 12/20 0.49
KLK5 Q9Y337 10/20 0.49
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40

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
SCHEMBL17104764 0.88 BCHE (0.46) BCHEKLK7KLK5
SCHEMBL21574397 0.86 BCHE (0.65) BCHEKLK7KLK5PSEN1PSEN2
SCHEMBL4752349 0.86 BCHE (0.65) BCHEKLK7KLK5PSEN1PSEN2
SCHEMBL12310121 0.83 BCHE (0.49) BCHEKLK7KLK5
SCHEMBL2440031 0.83 BCHE (0.49) BCHEKLK7KLK5
SCHEMBL22527529 0.82 AR (0.44) BCHEPSEN1PSEN2APH1BNCSTN
SCHEMBL22527530 0.82 AR (0.44) BCHEPSEN1PSEN2APH1BNCSTN
SCHEMBL17104794 0.82 BCHE (0.58) BCHEKLK7KLK5PSEN1PSEN2
SCHEMBL22527528 0.82 AR (0.44) BCHEPSEN1PSEN2APH1BNCSTN
SCHEMBL22692847 0.81 PSEN1 (0.41) BCHEKLK7KLK5PSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10377765-B2 Polyester ethers derived from asymmetrical monomers based upon bisanhydrohexitols NEW JERSEY INSTITUTE OF TECHNOLOGY (US) 2019-08-13 US disclosed
US-20160369046-A1 NEW POLYESTER ETHERS DERIVED FROM ASYMMETRICAL MONOMERS BASED UPON BISANHYDROHEXITOLS NEW JERSEY INSTITUTE OF TECHNOLOGY 2016-12-22 US disclosed
US-9447230-B2 Polyester ethers derived from asymmetrical monomers based upon bisanydrohexitols NEW JERSEY INSTITUTE OF TECHNOLOGY (US) 2016-09-20 US disclosed
EP-2548203-A1 NEW POLYESTER ETHERS DERIVED FROM ASYMMETRICAL MONOMERS BASED UPON BISANHYDROHEXITOLS New Jersey Institute of Technology (US) 2013-01-23 EP disclosed
US-20110257346-A1 Polyester Ethers Derived From Asymmetrical Monomers Based Upon Bisanydrohexitols IOWA CORN PROMOTION BOARD (US) 2011-10-20 US disclosed
WO-2011116270-A1 NEW POLYESTER ETHERS DERIVED FROM ASYMMETRICAL MONOMERS BASED UPON BISANHYDROHEXITOLS NEW JERSEY INSTITUTE OF TECHNOLOGY (US) 2011-09-22 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 (3 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-20160369046-A1 NEW POLYESTER ETHERS DERIVED FROM ASYMMETRICAL MONOMERS BASED UPON BISANHYDROHEXITOLS GNE, DCXR, DERA BCHE 1882/4885KLK7 2761/4885KLK5 4093/4885
US-10377765-B2 Polyester ethers derived from asymmetrical monomers based upon bisanhydrohexitols DCXR, CBR1, AKR1C4 BCHE 1752/4885KLK7 3676/4885KLK5 4307/4885
US-20110257346-A1 Polyester Ethers Derived From Asymmetrical Monomers Based Upon Bisanydrohexitols GNE, FHIT, DCXR BCHE 1868/4885KLK7 2837/4885KLK5 4296/4885

“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.