SCHEMBL12508301

SCHEMBL12508301

CC[C@H](CCCO)NS(=O)(=O)c1ccc(-c2ccc(F)cc2F)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 3/20 0.46
▸ FEN1 P39748 3/20 0.46
▸ MMP1 P03956 4/20 0.46
▸ MMP2 P08253 4/20 0.46
▸ MMP3 P08254 4/20 0.46
▸ MMP7 P09237 4/20 0.46
▸ MMP9 P14780 4/20 0.46
▸ MMP13 P45452 4/20 0.46
▸ TDO2 P48775 4/20 0.44
▸ FDFT1 P37268 1/20 0.43
▸ LGMN Q99538 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ PTGS2 P35354 1/20 0.40
▸ GHSR Q92847 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ MMP14 P50281 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL19156928 0.89 ALOX5AP (0.46) ALOX5APFEN1MMP1MMP2MMP3
SCHEMBL19681317 0.89 ALOX5AP (0.46) ALOX5APFEN1MMP1MMP2MMP3
SCHEMBL19156975 0.85 MMP1 (0.46) ALOX5APFEN1MMP1MMP2MMP3
SCHEMBL12508138 0.85 ALOX5AP (0.46) ALOX5APFEN1MMP1MMP2MMP3
SCHEMBL19853185 0.82 TDO2 (0.41) ALOX5APFEN1MMP1MMP2MMP3
SCHEMBL16378518 0.80 MMP13 (0.41) ALOX5APFEN1MMP1MMP2MMP3
SCHEMBL18744727 0.78 TDO2 (0.40) ALOX5APFEN1MMP1MMP2MMP3
SCHEMBL23953182 0.77 CA12 (0.39) ALOX5APFEN1SMN1; SMN2
SCHEMBL19156546 0.77 CA12 (0.39) ALOX5APFEN1SMN1; SMN2
SCHEMBL1712163 0.77 ALDH1A1 (0.57) ALOX5APFEN1TDO2MCL1ALDH1A1

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-20110172189-A1 Aryl-Phenyl-Sulfonamido-Cycloalkyl Compounds and Their Use PIMCO 2664 LIMITED (GB) 2011-07-14 — — 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-20110172189-A1 Aryl-Phenyl-Sulfonamido-Cycloalkyl Compounds and Their Use SOST, AADAC, ARSA ALOX5AP 471/4885FEN1 4787/4885MMP1 1798/4885

“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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