SCHEMBL16610066

SCHEMBL16610066

CN(C)c1cccc2c(S(=O)(=O)Oc3ccc(CO)cc3)cccc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYMS P04818 5/20 0.53
CA2 P00918 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.50
HIF1A Q16665 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
F2 P00734 3/20 0.48
PRSS1 P07477 3/20 0.48
PRSS2 P07478 3/20 0.48
PRSS3 P35030 3/20 0.48
EDNRA P25101 5/20 0.46
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
GBA1 P04062 1/20 0.43

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
SCHEMBL10064159 0.85 CYP1A2 (0.49) TYMSCA2CYP1A2CYP2C19HTT
SCHEMBL711797 0.85 CA2 (0.58) TYMSCA2CYP1A2CYP2C19HTT
SCHEMBL16610056 0.84 NSD2 (0.50) TYMS
SCHEMBL18020594 0.84 POLB (0.45) TYMSCYP1A2CYP2C19F2KMT2A
SCHEMBL5171829 0.83 TYMS (0.62) TYMSCA2CYP1A2CYP2C19HTT
SCHEMBL714171 0.83 CA2 (0.52) TYMSCA2CYP1A2CYP2C19HTT
SCHEMBL22238736 0.82 TYMS (0.51) TYMSCA2CYP1A2CYP2C19HTT
SCHEMBL17986290 0.81 TYMS (0.47) TYMSCA2CYP1A2CYP2C19HTT
SCHEMBL714494 0.80 TYMS (0.57) TYMSCA2CYP1A2CYP2C19HTT
SCHEMBL4325460 0.80 TYMS (0.81) TYMSF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3049386-B9 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES UNIV KOELN (DE) 2020-11-18 EP disclosed
EP-3049386-B9 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES UNIV KOELN (DE) 2020-11-18 EP disclosed
US-10793509-B2 Compounds useful in the treatment of neoplastic diseases UNIVERSITÄT ZU KOLN (DE) 2020-10-06 US disclosed
US-10793509-B2 Compounds useful in the treatment of neoplastic diseases UNIVERSITÄT ZU KOLN (DE) 2020-10-06 US disclosed
EP-3049386-B1 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES UNIV KOELN (DE) 2020-07-22 EP disclosed
EP-3049386-B1 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES UNIV KOELN (DE) 2020-07-22 EP disclosed
US-20160237023-A1 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES UNIVERSITÄT ZU KÖLN (DE) 2016-08-18 US disclosed
US-20160237023-A1 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES UNIVERSITÄT ZU KÖLN (DE) 2016-08-18 US disclosed
WO-2015044177-A1 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES UNIVERSITÄT ZU KÖLN (DE) 2015-04-02 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-20160237023-A1 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES APC, BRCA1, VHL TYMS 573/4885CA2 1433/4885CYP1A2 1848/4885
US-10793509-B2 Compounds useful in the treatment of neoplastic diseases APC, BRCA1, VHL TYMS 573/4885CA2 1433/4885CYP1A2 1848/4885

“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.