SCHEMBL5690776

SCHEMBL5690776

CCC[CH]S(=O)(=O)c1ccccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.41
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 8/20 0.38
MAPT P10636 6/20 0.38
NPSR1 Q6W5P4 5/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 3/20 0.38
LMNA P02545 3/20 0.38
CYP2D6 P10635 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
TP53 P04637 1/20 0.37
PKM P14618 2/20 0.37
EDNRA P25101 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
GAA P10253 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36

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
SCHEMBL5691143 0.85 RAPGEF4 (0.44) RAPGEF4KMT2AALDH1A1MAPTNPSR1
SCHEMBL4390833 0.79 MEP1B (0.44) RAPGEF4KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL4394025 0.75 PSIP1 (0.50) ALDH1A1NPSR1L3MBTL1CYP1A2CYP2C19
SCHEMBL15437898 0.74 ALDH1A1 (0.43) RAPGEF4KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL1016097 0.74 ALDH1A1 (0.42) RAPGEF4KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL3391401 0.72 RAPGEF4 (0.39) RAPGEF4KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL3882288 0.71 PSIP1 (0.50) RAPGEF4KMT2AALDH1A1MAPTNPSR1
SCHEMBL6097634 0.71 KEAP1 (0.53) RAPGEF4KMT2AALDH1A1MAPTNPSR1
SCHEMBL32664495 0.70 CA12 (0.61) ALDH1A1L3MBTL1SMN1; SMN2TDP1TP53
SCHEMBL634315 0.70 CA12 (0.61) ALDH1A1L3MBTL1SMN1; SMN2TDP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7094516-B2 Benzobisazole compound and optical recording medium containing the compound MITSUI CHEMICALS, INC. (JP) 2006-08-22 US disclosed
EP-1247655-B1 OPTICAL RECORDING MEDIUM AND NOVEL AZAPORPHYRIN COMPOUNDS MITSUI CHEMICALS INC (JP) 2006-05-31 EP disclosed
US-20060088786-A1 Rewritable optical information recording medium, recording and reproducing methods, as well as recording and reproducing apparatus MITSUI CHEMICALS, INC. (JP) 2006-04-27 US disclosed
EP-1262966-B1 Optical recording medium and novel azaporphyrin compound MITSUI CHEMICALS INC (JP) 2006-04-12 EP disclosed
US-6969764-B2 Mono-, di-, and triazaporphyrin compounds optionally in the form of a metal or metalloid complex MITSUI CHEMICALS, INC. (JP) 2005-11-29 US disclosed
EP-1180765-B1 Optical recording medium and porphycene compound MITSUI CHEMICALS INC (JP) 2005-04-06 EP disclosed
EP-1484191-A1 REWRITABLE OPTICAL INFORMATION RECORDING MEDIUM AND RECORDING/REPRODUCING METHOD, RECORDING/REPRODUCING DEVICE Sony Corporation (JP) 2004-12-08 EP disclosed
US-20030194646-A1 Mono-, di-, and triazaporphyrin compounds optionally in the form of a metal or metalloid complex MITSUI CHEMICALS, INC. (JP) 2003-10-16 US disclosed
US-6627288-B1 Optical recording medium and porphycene compound MITSUI CHEMICALS, INC. (JP) 2003-09-30 US disclosed
US-20030091931-A1 Benzbisazole compound and optical recording medium containing the compound MITSUI CHEMICALS, INC. (JP) 2003-05-15 US disclosed
EP-1262966-A2 Optical recording medium and novel azaporphyrin compound Mitsui Chemicals, Inc. (JP) 2002-12-04 EP disclosed
EP-1247655-A1 OPTICAL RECORDING MEDIUM AND NOVEL AZAPORPHYRIN COMPOUNDS Mitsui Chemicals, Inc. (JP) 2002-10-09 EP disclosed
EP-1245571-A1 BENZBISAZOLE COMPOUND AND OPTICAL RECORDING MEDIUM CONTAINING THE COMPOUND Mitsui Chemicals, Inc. (JP) 2002-10-02 EP disclosed
EP-1180765-A1 Optical recording medium and porphycene compound Mitsui Chemicals, Inc. (JP) 2002-02-20 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 (2 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-20030091931-A1 Benzbisazole compound and optical recording medium containing the compound DAO, CACNA1I, KCNB2 RAPGEF4 3704/4885KMT2A 2859/4885ALDH1A1 838/4885
US-20060088786-A1 Rewritable optical information recording medium, recording and reproducing methods, as well as recording and reproducing apparatus ALPG, TRPC6, GNRHR RAPGEF4 1930/4885KMT2A 606/4885ALDH1A1 2071/4885

“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.