SCHEMBL1808625

SCHEMBL1808625

[O]CCCCc1ccccc1S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.40
▸ MYC P01106 1/20 0.40
▸ TSHR P16473 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TTR P02766 2/20 0.34
▸ LIPG Q9Y5X9 1/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ ADRB3 P13945 1/20 0.33
▸ MMP1 P03956 2/20 0.32
▸ MMP2 P08253 2/20 0.32
▸ MMP3 P08254 2/20 0.32
▸ MMP9 P14780 2/20 0.32
▸ MMP12 P39900 2/20 0.32
▸ MMP13 P45452 2/20 0.32
▸ MMP14 P50281 2/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ BID P55957 1/20 0.32
▸ BCL2L1 Q07817 1/20 0.32
▸ MCL1 Q07820 1/20 0.32

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
SCHEMBL1803085 0.94 MYC (0.41) MGLLMYCTSHRSMN1; SMN2TTR
SCHEMBL11341783 0.90 MGLL (0.47) MGLLMYCTSHRSMN1; SMN2TTR
SCHEMBL1807544 0.86 MYC (0.43) MGLLMYCTSHRSMN1; SMN2TTR
SCHEMBL1808627 0.85 MGLL (0.40) MGLLMYCTSHRSMN1; SMN2TTR
SCHEMBL4202392 0.84 MYC (0.47) MGLLMYCTSHRSMN1; SMN2TTR
SCHEMBL30446463 0.84 MYC (0.47) MGLLMYCTSHRSMN1; SMN2TTR
SCHEMBL11329431 0.84 MGLL (0.42) MGLLMYCTTRLIPGADRB2
SCHEMBL1806872 0.84 MAOA (0.42) MGLLMYCTSHRTTRCYP2D6
SCHEMBL11333706 0.84 MGLL (0.42) MGLLMYCTTRLIPGADRB2
SCHEMBL1806870 0.84 MGLL (0.39) MGLLMYCTSHRSMN1; SMN2TTR

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-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 — — US disclosed
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 — — 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-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 MGLL 4153/4885MYC 3750/4885TSHR 3565/4885

“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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