SCHEMBL4581579

SCHEMBL4581579

COCCNc1cc(S(=O)(=O)c2cc(OC)c(OC)c(OC)c2)ccc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
USP2 O75604 1/20 0.42
MAPK1 P28482 2/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 3/20 0.39
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK10 P53779 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGER4 P35408 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK9 P45984 1/20 0.37

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
SCHEMBL4581333 0.80 MAPK10 (0.39) ALDH1A1USP2MAPK1POLBLMNA
SCHEMBL4581081 0.79 DYRK1A (0.46) ALDH1A1USP2MAPK1POLBTSHR
SCHEMBL4581213 0.77 MAPK1 (0.41) ALDH1A1MAPK1LMNAKDM4EMEN1
SCHEMBL4581828 0.77 LMNA (0.38) ALDH1A1MAPK1POLBLMNAKDM4E
SCHEMBL12819603 0.72 PTGER4 (0.47) ALDH1A1LMNACA12CA1CA2
SCHEMBL4580932 0.72 MAPK9 (0.53) MAPK1MAPK10MAPK9
SCHEMBL2429456 0.71 PTGER4 (0.67) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL4539617 0.69 KDM4E (0.54) ALDH1A1MAPK1KDM4EMEN1KMT2A
SCHEMBL5095441 0.68 POLB (0.59) ALDH1A1USP2MAPK1POLBTSHR
SCHEMBL11573054 0.65 GAA (0.49) ALDH1A1USP2POLBTSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US claimed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 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-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives RB1, MKI67, CCNB1 ALDH1A1 767/4885USP2 3600/4885MAPK1 1198/4885

“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.