SCHEMBL21586964

SCHEMBL21586964

CCCCOc1cc(-n2nc3ccc(S(=O)(=O)c4ccccc4)cc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.37
ABCB1 P08183 6/20 0.36
ABCC1 P33527 4/20 0.36
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
KAT6A Q92794 1/20 0.34
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CNR2 P34972 1/20 0.34
RECQL P46063 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
P2RY12 Q9H244 1/20 0.33

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
SCHEMBL31651459 0.93 CNR2 (0.34) PTGS2EGFRERBB2CNR2PDE3B
SCHEMBL21586949 0.93 CNR2 (0.34) PTGS2EGFRERBB2CNR2PDE3B
SCHEMBL21586945 0.88 CYP1A1 (0.36) CNR2CTRC
SCHEMBL21586966 0.85 MMP1 (0.36) PTGS2TSHRMAPK1ALDH1A1TP53
SCHEMBL31651453 0.85 MCL1 (0.35) PTGS2ALDH1A1SMN1; SMN2CNR2
SCHEMBL25991029 0.83 MMP1 (0.34) PTGS2TSHRMAPK1ALDH1A1TP53
SCHEMBL21586972 0.82 POLB (0.37) PTGS2ALDH1A1SMN1; SMN2CNR2L3MBTL1
SCHEMBL5834156 0.82 CNR2 (0.37) PTGS2ABCB1ABCC1ALDH1A1CNR2
SCHEMBL769483 0.81 POLB (0.37) PTGS2TSHRALDH1A1SMN1; SMN2CNR2
SCHEMBL21586956 0.81 POLB (0.46) PTGS2ALDH1A1SMN1; SMN2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3578550-B1 NOVEL RED-SHIFTING BENZOTRIAZOLE UV ABSORBERS EVERLIGHT CHEM IND CORP (TW) 2023-08-16 EP disclosed
EP-3848357-B1 REACTIVE BENZOTRIAZOLE UV ABSORBER AND USE THEREOF EVERLIGHT CHEM IND CORP (TW) 2023-01-18 EP disclosed
US-20210214321-A1 NOVEL REACTIVE BENZOTRIAZOLE UV ABSORBER AND USE THEREOF EVERLIGHT CHEMICAL INDUSTRIAL CORPORATION (TW) 2021-07-15 US disclosed
EP-3848357-A1 REACTIVE BENZOTRIAZOLE UV ABSORBER AND USE THEREOF Everlight Chemical Industrial Corporation (TW) 2021-07-14 EP disclosed
EP-3578550-A1 NOVEL BENZOTRIAZOLE UV ABSORBER WITH RED SHIFT AND USE THEREOF Everlight Chemical Industrial Corporation (TW) 2019-12-11 EP 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-20210214321-A1 NOVEL REACTIVE BENZOTRIAZOLE UV ABSORBER AND USE THEREOF SULT1A1, XDH, SULT2A1 PTGS2 2116/4885ABCB1 2133/4885ABCC1 2723/4885

“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.