SCHEMBL19844941

SCHEMBL19844941

CS(=O)(=O)OCCS(=O)(=O)c1ccc([N+]#N)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ LMNA P02545 3/20 0.35
▸ MMP9 P14780 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MMP13 P45452 3/20 0.34
▸ HTT P42858 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MMP8 P22894 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ LOX P28300 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MMP1 P03956 5/20 0.33
▸ CA2 P00918 2/20 0.32

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
SCHEMBL18034192 0.85 CA2 (0.36) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL8507597 0.85 THRB (0.38) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
Water SCHEMBL7042206 0.84 CA2 (0.35) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL19844936 0.77 LMNA (0.44) ALDH1A1LMNAMMP9KDM4EUSP2
Hydrochloric Acid SCHEMBL9357417 0.73 CA2 (0.56) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL1549893 0.70 ENPP2 (0.50) —
SCHEMBL19844935 0.70 THRB (0.37) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL17278432 0.68 KMT2A (0.46) ALDH1A1LMNAKMT2AMEN1
SCHEMBL5326198 0.68 CA2 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL937040 0.67 LMNA (0.52) ALDH1A1CYP2C9CYP2C19LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180037598-A1 METHODS OF MAKING AND USING LIGNIN DERIVATIVES BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2018-02-08 — — 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 (1 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-20180037598-A1 METHODS OF MAKING AND USING LIGNIN DERIVATIVES HLCS, LOX, DCXR ALDH1A1 247/4885CYP3A4 957/4885CYP2C9 920/4885

“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.

Send feedback