SCHEMBL304686

SCHEMBL304686

CC1Nc2ccc(S(=O)(=O)O)cc2C1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA12 O43570 2/20 0.38
CA7 P43166 2/20 0.38
CA14 Q9ULX7 2/20 0.38
AR P10275 2/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
SNCA P37840 1/20 0.35
ALDH1A1 P00352 5/20 0.34
HSD17B10 Q99714 3/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 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
SCHEMBL304685 1.00 CA1 (0.38) CA1CA2CA12CA7CA14
Potassium SCHEMBL4418575 0.98 CA1 (0.38) CA1CA2CA12CA7CA14
SCHEMBL560834 0.98 CA1 (0.38) CA1CA2CA12CA7CA14
SCHEMBL3433055 0.79 ALDH1A1 (0.39) CA1CA2CA12CA7CA14
SCHEMBL6537392 0.78 MAPT (0.36) ARALDH1A1LMNAMEN1KMT2A
SCHEMBL4296863 0.77 ALDH1A1 (0.42) SNCAALDH1A1HSD17B10TDP1KDM4E
SCHEMBL4296989 0.76 ALDH1A1 (0.42) SNCAALDH1A1HSD17B10TDP1KDM4E
SCHEMBL24725924 0.75 MRGPRX2 (0.40) AR
SCHEMBL11326119 0.74 AR (0.39) CA1CA2CA12CA7AR
SCHEMBL11516736 0.74 ALDH1A1 (0.39) CA1CA2CA12ALDH1A1LMNA

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 108 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106496094-B A kind of Heptamethine cyanines near-infrared fluorescent molecular probe and its preparation method and application 东南大学 2019-05-31 CN claimed
CN-106496093-B A kind of near-infrared fluorescent molecular probe and its synthetic method and application 东南大学 2019-05-28 CN claimed
CN-106496093-A A kind of near-infrared fluorescent molecular probe and its synthetic method and application 东南大学 2017-03-15 CN claimed
CN-106496094-A A kind of Heptamethine cyanines near-infrared fluorescent molecular probe and its preparation method and application 东南大学 2017-03-15 CN claimed
US-20230117826-A1 COMPOUNDS AND COMPOSITIONS FOR RETINAL INJURY DETECTION AND METHODS OF USING SAME MOLECULAR TARGETING TECHNOLOGIES, INC. 2023-04-20 US disclosed
WO-2022265043-A1 COMPOUND AND LABELED BIOMATERIAL USING SAME 富士フイルム株式会社 2022-12-22 WO disclosed
WO-2022129336-A1 PH RESPONSIVE CYANINE DYES AND CONJUGATES THEREOF BRACCO IMAGING SPA (IT) 2022-06-23 WO disclosed
WO-2021158219-A1 COMPOUNDS AND COMPOSITIONS FOR RETINAL INJURY DETECTION AND METHODS OF USING SAME MOLECULAR TARGETING TECHNOLOGIES, INC. (US) 2021-08-12 WO disclosed
US-10968386-B2 Pentamethine cyanine dye and preparation method therefor SHENZHEN UNIVERSITY (CN) 2021-04-06 US disclosed
US-20200095499-A1 PENTAMETHINE CYANINE DYE AND PREPARATION METHOD THEREFOR SHENZHEN UNIVERSITY (CN) 2020-03-26 US disclosed
CN-106496094-B A kind of Heptamethine cyanines near-infrared fluorescent molecular probe and its preparation method and application 东南大学 2019-05-31 CN disclosed
CN-106496094-B A kind of Heptamethine cyanines near-infrared fluorescent molecular probe and its preparation method and application 东南大学 2019-05-31 CN disclosed
EP-1326649-A1 TISSUE-SPECIFIC EXOGENOUS OPTICAL AGENTS MALLINCKRODT INC. (US) 2003-07-16 EP disclosed
EP-1326651-A2 DYNAMIC ORGAN FUNCTION MONITORING AGENTS Mallinckrodt Inc. (US) 2003-07-16 EP disclosed
US-6579718-B1 For detecting and quantifying peptides, polypeptides and proteins; sensitive, facile and does not require use of organic solvents MOLECULAR PROBES, INC. 2003-06-17 US disclosed
US-6538129-B1 Luminescent compounds Terpetschnig, Ewald A. 2003-03-25 US disclosed
US-6498945-B1 FREE RADICAL GENERATION OF WATER SOLUBLE POLYMER TO ENHANCE CYTOPATHOGENIC EFFICACY AMERSHAM HEALTH AS (NO) 2002-12-24 US disclosed
WO-2002032421-A1 INDOLE COMPOUNDS AS MINIMALLY PHYSIOLOGIAL FUNCTION MONITIORING AGENTS MALLINCKRODT INC. (US) 2002-04-25 WO disclosed
WO-2002032465-A1 TISSUE-SPECIFIC EXOGENOUS OPTICAL AGENTS MALLINCKRODT INC. (US) 2002-04-25 WO disclosed
WO-2002032860-A2 DYNAMIC ORGAN FUNCTION MONITORING AGENTS MALLINCKRODT INC. (US) 2002-04-25 WO 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-20230117826-A1 COMPOUNDS AND COMPOSITIONS FOR RETINAL INJURY DETECTION AND METHODS OF USING SAME ALDH1A2, PDE6C, ALDH1A3 CA1 3362/4885CA2 1032/4885CA12 2196/4885

“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.