SCHEMBL136674

SCHEMBL136674

CC1=[N+]c2ccc(S(=O)(=O)O)cc2C1(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
SNCA P37840 2/20 0.36
ALDH1A1 P00352 8/20 0.35
HSD17B10 Q99714 4/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA12 O43570 2/20 0.35
CA7 P43166 2/20 0.35
CA14 Q9ULX7 2/20 0.35
LMNA P02545 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
NT5E P21589 1/20 0.32
CASP6 P55212 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL5006716 0.98 RXRA (0.35) RXRARXRBRXRGSNCAALDH1A1
SCHEMBL136846 0.77 S1PR3 (0.30) RXRARXRBRXRGS1PR3
SCHEMBL137433 0.73 RXRA (0.30) RXRARXRBRXRG
SCHEMBL29869219 0.72 RXRA (0.37) RXRARXRBRXRGSNCAALDH1A1
SCHEMBL47326 0.72 RXRA (0.37) RXRARXRBRXRGSNCAALDH1A1
SCHEMBL559919 0.71 LMNA (0.36) RXRARXRBRXRGSNCAALDH1A1
SCHEMBL224968 0.71 RXRA (0.36) RXRARXRBRXRGSNCAALDH1A1
Potassium SCHEMBL559580 0.71 RXRA (0.36) RXRARXRBRXRGSNCAALDH1A1
SCHEMBL2721236 0.71 RXRA (0.36) RXRARXRBRXRGSNCAALDH1A1
SCHEMBL135181 0.70 RXRA (0.30) RXRARXRBRXRGALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132948-A1 Cyanine Dyes PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2024-04-25 US disclosed
US-11624089-B2 Cyanine dyes PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2023-04-11 US disclosed
US-20230085980-A1 A Theranostic Probe and its Use for Targeting and/or Labeling the EGFR Kinase and/or the Cells Expressing EGFR or its Family Members TIANJIN UNIVERSITY (CN) 2023-03-23 US disclosed
US-20200232023-A1 CYANINE DYES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2020-07-23 US disclosed
US-10392659-B2 Cyanine dyes PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2019-08-27 US disclosed
US-20180156810-A1 FLUORESCENT COMPOUNDS BIOTIUM, INC. 2018-06-07 US disclosed
US-9920365-B2 Functionalized cyanine dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2018-03-20 US disclosed
US-9791450-B2 Fluorescent compounds BIOTIUM, INC. (US) 2017-10-17 US disclosed
US-20170183501-A1 Cyanine Dyes PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2017-06-29 US disclosed
US-9441270-B2 Cyanine dyes PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2016-09-13 US disclosed
EP-1112254-A2 CYANINE DYES AND SYNTHESIS METHODS THEREOF NEN Life Science Products, Inc. (US) 2001-07-04 EP disclosed
US-6224644-B1 CYANINE DYES INCLUDES FREE OR PROTECTED THIOL, AMINE OR HYDROXY SUBSTITUENT CAPABLE OF REACTING WITH A TARGET MOLECULE THROUGH A NEUCLOPHILIC DISPLACEMENT, USEFUL IN LABELING A VARIETY OF TARGET MOLECULES NEN LIFE SCIENCE PRODUCTS, INC. 2001-05-01 US disclosed
US-6204389-B1 DEBLOCKING; NUCLEOPHILIC DISPLACEMENT NEN LIFE SCIENCE PRODUCTS, INC. 2001-03-20 US disclosed
US-6197956-B1 FLUORESCENT BENZIMIDAZOLE, BENZOTHIAZOLE, BENZOXAZOLE, BENZOTHIAZINE, BENZOXAZINE AND QUINOLINE DYES NEN LIFE SCIENCE PRODUCTS, INC. 2001-03-06 US disclosed
EP-1078023-A1 LUMINESCENT COMPOUNDS Terpetschnig, Ewald A. (US) 2001-02-28 EP disclosed
WO-2000063296-A2 CYANINE DYES AND SYNTHESIS METHODS THEREOF NEN LIFE SCIENCE PRODUCTS, INC. (US) 2000-10-26 WO disclosed
US-6002003-A Cyanine dye activating group with improved coupling selectivity BECKMAN INSTRUMENTS, INC. (US) 1999-12-14 US disclosed
WO-1999051702-A1 LUMINESCENT COMPOUNDS TERPETSCHNIG EWALD A (US) 1999-10-14 WO disclosed
EP-0943918-A1 Fluorescent labelling complexes with large Stokes' shifts formed by coupling together cyanine and other fluorochromes capable of resonance energy transfer CARNEGIE-MELLON UNIVERSITY (US) 1999-09-22 EP disclosed
EP-0747700-A2 Fluorescent labelling complexes with large stokes shifts formed by coupling together cyanine and other fluorochromes capable of resonance energy transfer CARNEGIE-MELLON UNIVERSITY (US) 1996-12-11 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 (5 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-20240132948-A1 Cyanine Dyes ABCG2, IK, ACR RXRA 2390/4885RXRB 2432/4885RXRG 1959/4885
US-10392659-B2 Cyanine dyes ABCG2, IK, ACR RXRA 2390/4885RXRB 2432/4885RXRG 1959/4885
US-11624089-B2 Cyanine dyes ABCG2, IK, ACR RXRA 2390/4885RXRB 2432/4885RXRG 1959/4885
US-20200232023-A1 CYANINE DYES ABCG2, IK, ACR RXRA 2390/4885RXRB 2432/4885RXRG 1959/4885
US-20230085980-A1 A Theranostic Probe and its Use for Targeting and/or Labeling the EGFR Kinase and/or the Cells Expressing EGFR or its Family Members EGFR, ERBB2, ERBB3 RXRA 3487/4885RXRB 3366/4885RXRG 3160/4885

“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.