SCHEMBL6736749

SCHEMBL6736749

CCCCCCOc1ccc(S(=O)(=O)C(=[N+]=[N-])C(=O)C(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
PLA2G4B P0C869 4/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
CA7 P43166 1/20 0.45
MMP1 P03956 2/20 0.44
NR5A1 Q13285 1/20 0.43
RARB P10826 3/20 0.43
MMP3 P08254 1/20 0.43
S1PR1 P21453 1/20 0.42
ADAMTS4 O75173 1/20 0.42
MMP2 P08253 1/20 0.42
MMP13 P45452 1/20 0.42
MMP14 P50281 1/20 0.42
ADAMTS5 Q9UNA0 1/20 0.42
PLA2G4A P47712 1/20 0.41

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
SCHEMBL5882132 0.90 THRA (0.43) TSHRTP53PLA2G4BCA12CA1
SCHEMBL6737104 0.86 TSHR (0.49) TSHRTP53PLA2G4BCA12CA1
SCHEMBL5881845 0.86 MMP1 (0.40) TSHRCA12CA1CA2CA9
SCHEMBL6739638 0.82 TP53 (0.46) TSHRTP53PLA2G4BRARBS1PR1
SCHEMBL6742537 0.82 TSHR (0.46) TSHRTP53PLA2G4BCA12CA1
SCHEMBL5845036 0.82 S1PR3 (0.40) TSHRCA12CA1CA2CA9
SCHEMBL7694416 0.82 MMP2 (0.39) MMP1MMP2MMP13MMP14
SCHEMBL5845514 0.82 MMP1 (0.37) TSHRTP53CA12CA1CA2
SCHEMBL6743297 0.81 TP53 (0.50) TSHRTP53PLA2G4BRARBPLA2G4A
SCHEMBL383894 0.81 TSHR (0.53) TSHRTP53PLA2G4BCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6689530-B2 ULTRAVIOLET LITHOGRAPHY MICROFABRICATION WITH IMPROVED RESOLUTION AND PATTERN PROFILE AFTER DEVELOPMENT SHIN-ETSU CHEMICAL CO., LTD. (JP) 2004-02-10 US disclosed
US-20030180653-A1 Novel sulfonyldiazomethanes, photoacid generations, resist compositions, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2003-09-25 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-20030180653-A1 Novel sulfonyldiazomethanes, photoacid generations, resist compositions, and patterning process CACNA1A, KCNA1, POLL TSHR 3831/4885TP53 4536/4885PLA2G4B 2280/4885

“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.