SCHEMBL12704976

SCHEMBL12704976

C[N+](C)(C)CS(=O)(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.56
▸ MMP7 P09237 2/20 0.56
▸ MMP14 P50281 2/20 0.56
▸ MMP1 P03956 2/20 0.50
▸ MMP3 P08254 1/20 0.50
▸ MMP9 P14780 1/20 0.50
▸ MMP13 P45452 1/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ PSIP1 O75475 1/20 0.48
▸ PTGS2 P35354 1/20 0.46
▸ RORC P51449 2/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ MMP12 P39900 1/20 0.43
▸ LOX P28300 1/20 0.42
▸ TSHR P16473 1/20 0.42

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
SCHEMBL12704944 0.87 PSIP1 (0.62) CA12CA1CA2CA9PSIP1
SCHEMBL5134257 0.81 PSIP1 (0.74) MMP2MMP7MMP14MMP1MMP3
SCHEMBL293991 0.81 PSIP1 (0.74) MMP2MMP7MMP14MMP1MMP3
SCHEMBL4629307 0.76 CYP2C9 (0.57) MMP2MMP7MMP14MMP1MMP3
SCHEMBL1661052 0.75 MMP2 (0.60) MMP2MMP7MMP14MMP1MMP3
SCHEMBL20172043 0.75 MMP2 (0.60) MMP2MMP7MMP14MMP1MMP3
SCHEMBL18411937 0.74 MMP2 (0.55) MMP2MMP7MMP14MMP1MMP3
SCHEMBL2703745 0.74 MMP2 (0.55) MMP2MMP7MMP14MMP1MMP3
SCHEMBL2704194 0.73 HDAC1 (0.56) MMP2MMP7MMP14MMP1MMP3
SCHEMBL941159 0.73 MMP2 (0.73) MMP2MMP7MMP14MMP1MMP3

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-20110091808-A1 PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-21 — — 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-20110091808-A1 PHOTORESIST COMPOSITION ASIC1, ASIC3, SUN2 MMP2 3677/4885MMP7 3296/4885MMP14 1411/4885

“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.

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