SCHEMBL4838465

SCHEMBL4838465

Cc1ccc(S(=O)(=O)O)c(-c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
ACHE P22303 1/20 0.51
MAPT P10636 5/20 0.51
ALDH1A1 P00352 4/20 0.51
MAOB P27338 1/20 0.51
GAA P10253 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
MMP2 P08253 2/20 0.46
MMP9 P14780 2/20 0.46
MMP8 P22894 2/20 0.46
MMP13 P45452 2/20 0.46
AKR1C3 P42330 2/20 0.45
AKR1C2 P52895 2/20 0.45
NPSR1 Q6W5P4 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MMP1 P03956 1/20 0.43
PELI1 Q96FA3 2/20 0.43

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
SCHEMBL17557155 0.84 ALDH1A1 (0.47) TSHRMAPTALDH1A1GAARXFP1
SCHEMBL2009412 0.83 ALDH1A1 (0.55) TSHRMAPTALDH1A1GAARXFP1
SCHEMBL3885747 0.82 MAOB (0.42) MAPTALDH1A1MAOBAKR1C3AKR1C2
SCHEMBL11041119 0.82 ACHE (0.49) TSHRACHEMAPTALDH1A1MAOB
SCHEMBL11041114 0.82 ACHE (0.49) TSHRACHEMAPTALDH1A1MAOB
Dinitrophenylene SCHEMBL28198017 0.82 TSHR (0.56) TSHRACHEMAPTALDH1A1GAA
SCHEMBL847769 0.80 TSHR (0.61) TSHRACHEMAPTALDH1A1MAOB
SCHEMBL8820656 0.80 PTGS2 (0.49) ACHEMAPTALDH1A1MMP2MMP9
SCHEMBL11647394 0.79 PTGS2 (0.57) ACHEMAPTALDH1A1KMT2AMEN1
SCHEMBL8820277 0.79 HDAC7 (0.41) MAPTALDH1A1GAAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1319502-A None JP disclosed
US-7375095-B2 Sugar derivative KABASHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU (JP) 2008-05-20 US disclosed
US-20040254367-A1 Sugar derivative KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENYUJO (JP) 2004-12-16 US disclosed
EP-1460081-A1 SUGAR DERIVATIVE Kabushiki Kaisha Hayashibara Seibutsu Kagaku Kenkyujo (JP) 2004-09-22 EP disclosed
JP-H01319502-A CYCLODEXTRIN DERIVATIVE AND PRODUCTION THEREOF SHOWA DENKO KK 1989-12-25 JP 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-20040254367-A1 Sugar derivative FUT5, FUT6, MAN1B1 TSHR 2164/4885ACHE 2620/4885MAPT 4425/4885

“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.