SCHEMBL560019

SCHEMBL560019

CC1=Nc2ccc(S(=O)(=O)O)cc2C1(C)CCCCCCO

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.31
S1PR3 Q99500 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30

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
SCHEMBL560182 0.88 RXRA (0.30) RXRARXRBRXRG
SCHEMBL10037955 0.87 S1PR3 (0.36) CA2S1PR3RXRARXRBRXRG
SCHEMBL881201 0.87 ALDH1A1 (0.35) S1PR3
SCHEMBL15129781 0.86 RXRA (0.30) RXRARXRBRXRG
SCHEMBL114709 0.86 RXRA (0.31) RXRARXRBRXRG
SCHEMBL136845 0.86 RXRA (0.31) RXRARXRBRXRG
SCHEMBL13264906 0.85 CYP26B1 (0.35) S1PR3
Potassium SCHEMBL9929144 0.85 RXRA (0.30) RXRARXRBRXRG
SCHEMBL9929142 0.85 RXRA (0.30) RXRARXRBRXRG
SCHEMBL2721464 0.84 P2RX3 (0.35) S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160356681-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES Life Technologies Corporation 2016-12-08 US disclosed
US-9423323-B2 Modified carbocyanine dyes and their conjugates Life Technologies Corporation (US) 2016-08-23 US disclosed
US-20150247785-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES Life Technologies Corporation 2015-09-03 US disclosed
US-9110069-B2 Luminescent compounds SETA BIOMEDICALS, LLC (US) 2015-08-18 US disclosed
US-20150218380-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES Life Technologies Corporation 2015-08-06 US disclosed
US-9018396-B2 Modified carbocyanine dyes and their conjugates Life Technologies Corporation (US) 2015-04-28 US disclosed
EP-1322710-B2 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES LIFE TECHNOLOGIES CORP (US) 2015-02-18 EP disclosed
EP-2129788-B1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS LLC (US) 2014-09-03 EP disclosed
US-20140086844-A1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS, LLC (US) 2014-03-27 US disclosed
US-8642014-B2 Luminescent compounds SETA BIOMEDICALS, LLC (US) 2014-02-04 US disclosed
EP-1770129-A2 Modified carbocyanine dyes and their conjugates Molecular Probes, Inc. (US) 2007-04-04 EP disclosed
EP-1322710-B1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES MOLECULAR PROBES INC (US) 2007-01-24 EP disclosed
US-20060099638-A1 Modified carbocyanine dyes and their conjugates MOLECULAR PROBES, INC. 2006-05-11 US disclosed
US-20060004188-A1 Intermediates and the synthesis of modified carbocyanine dyes and their conjugates MOLECULAR PROBES, INC. 2006-01-05 US disclosed
US-6977305-B2 Modified carbocyanine dyes and their conjugates MOLECULAR PROBES, INC. (US) 2005-12-20 US disclosed
US-6974873-B2 Modified carbocyanine dyes and their conjugates MOLECULAR PROBES, INC. (US) 2005-12-13 US disclosed
US-20050202565-A1 Luminescent compounds SETA BIOMEDICALS, LLC 2005-09-15 US disclosed
US-20040166515-A1 Luminescent compounds TERPETSCHNIG, EWALD A. 2004-08-26 US disclosed
US-20020077487-A1 Modified carbocyanine dyes and their conjugates MOLECULAR PROBES, INC. 2002-06-20 US disclosed
US-20020064794-A1 Modified carbocyanine dyes and their conjugates MOLECULAR PROBES, INC. 2002-05-30 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 (8 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-20020077487-A1 Modified carbocyanine dyes and their conjugates IK, CBR3, DRD5 CA2 707/4885S1PR3 2618/4885RXRA 2745/4885
US-20140086844-A1 LUMINESCENT COMPOUNDS PHOSPHO1, PGLS, PFAS CA2 4026/4885S1PR3 1256/4885RXRA 4546/4885
US-20160356681-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES IK, CBR3, DRD5 CA2 707/4885S1PR3 2618/4885RXRA 2745/4885
US-20150218380-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES IK, CBR3, DRD5 CA2 707/4885S1PR3 2618/4885RXRA 2745/4885
US-20150247785-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES IK, CBR3, DRD5 CA2 707/4885S1PR3 2618/4885RXRA 2745/4885
US-20060004188-A1 Intermediates and the synthesis of modified carbocyanine dyes and their conjugates CBR3, IK, CYBA CA2 984/4885S1PR3 3739/4885RXRA 2455/4885
US-20060099638-A1 Modified carbocyanine dyes and their conjugates IK, CBR3, DRD5 CA2 707/4885S1PR3 2618/4885RXRA 2745/4885
US-20040166515-A1 Luminescent compounds RORC, NR2E3, RORB CA2 284/4885S1PR3 3609/4885RXRA 43/4885

“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.