Sugi Predict

Sugi Predict / Compounds / SCHEMBL881201

SCHEMBL881201

SCHEMBL881201

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.35
▸ TBXA2R P21731 1/20 0.35
▸ CYP26B1 Q9NR63 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ FABP4 P15090 4/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ P2RX3 P56373 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ TBXAS1 P24557 1/20 0.31

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
SCHEMBL13264906 0.99 CYP26B1 (0.35) ALDH1A1TBXA2RCYP26B1PKMFABP4
SCHEMBL2721464 0.98 P2RX3 (0.35) ALDH1A1TBXA2RCYP26B1PKMFABP4
SCHEMBL15628865 0.95 CYP26B1 (0.36) ALDH1A1TBXA2RCYP26B1PKMFABP4
SCHEMBL2721462 0.90 CYP26B1 (0.34) ALDH1A1TBXA2RCYP26B1PKMFABP4
SCHEMBL10090477 0.88 ALDH1A1 (0.35) ALDH1A1S1PR3GAA
SCHEMBL560019 0.87 CA2 (0.31) S1PR3
SCHEMBL18386292 0.87 ALDH1A1 (0.37) ALDH1A1MAPK1S1PR3GAATBXAS1
SCHEMBL13264903 0.86 ALDH1A1 (0.36) ALDH1A1GAA
SCHEMBL17119895 0.86 MEN1 (0.33) ALDH1A1TBXA2RPKMFABP4MAPK1
SCHEMBL7602622 0.85 ALDH1A1 (0.40) ALDH1A1FABP4MAPK1APEX1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070178511-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES INVITROGEN CORPORATION (US) 2007-08-02 — — US claimed
US-20230270890-A1 FLUORESCENT COMPOUND FOR DETECTING BIOLOGICAL MATERIAL AND PREPARATION METHOD THEREOF BIOACTS CORPORATION (KR) 2023-08-31 — — US disclosed
US-11597842-B2 Labeling dye and kit including same SFC CO., LTD. (KR) 2023-03-07 — — US disclosed
EP-2618849-B1 MULTIVALENT FLUORESCENT PROBES CALIPER LIFE SCIENCES INC (US) 2020-10-21 — — EP disclosed
US-20200255668-A1 LABELING DYE AND KIT INCLUDING SAME SFC CO., LTD. (KR) 2020-08-13 — — US disclosed
US-10294204-B2 Fluorescence compounds and preparation method thereof BIOACTS CO., LTD. (KR) 2019-05-21 — — US disclosed
US-20170313883-A1 FLUORESCENCE COMPOUNDS AND PREPARATION METHOD THEREOF BIOACTS CO., LTD. (KR) 2017-11-02 — — US disclosed
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-9423323-B2 Modified carbocyanine dyes and their conjugates Life Technologies Corporation (US) 2016-08-23 — — 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
EP-1525265-A4 CHIRAL INDOLE INTERMEDIATES AND THEIR FLUORESCENT CYANINE DYES CONTAINING FUNCTIONAL GROUPS UNIV CARNEGIE MELLON (US) 2005-06-22 — — EP disclosed
EP-1525265-A2 CHIRAL INDOLE INTERMEDIATES AND THEIR FLUORESCENT CYANINE DYES CONTAINING FUNCTIONAL GROUPS CARNEGIE-MELLON UNIVERSITY (US) 2005-04-27 — — EP disclosed
WO-2004039894-A2 CHIRAL INDOLE INTERMEDIATES AND THEIR FLUORESCENT CYANINE DYES CONTAINING FUNCTIONAL GROUPS CARNEGIE MELLON UNIVERSITY (US) 2004-05-13 — — WO disclosed
EP-1322710-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES Molecular Probes Inc. (US) 2003-07-02 — — EP 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
WO-2002026891-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES MOLECULAR PROBES, INC. (US) 2002-04-04 — — 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 (6 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 ALDH1A1 385/4885TBXA2R 3668/4885CYP26B1 1410/4885
US-20070178511-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES IK, CBR3, DRD5 ALDH1A1 385/4885TBXA2R 3668/4885CYP26B1 1410/4885
US-20230270890-A1 FLUORESCENT COMPOUND FOR DETECTING BIOLOGICAL MATERIAL AND PREPARATION METHOD THEREOF F12, MRGPRX4, C3AR1 ALDH1A1 2502/4885TBXA2R 1733/4885CYP26B1 1420/4885
US-20160356681-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES IK, CBR3, DRD5 ALDH1A1 385/4885TBXA2R 3668/4885CYP26B1 1410/4885
US-20170313883-A1 FLUORESCENCE COMPOUNDS AND PREPARATION METHOD THEREOF CDY1; CDY1B, CYP2F1, CYP4F11 ALDH1A1 180/4885TBXA2R 565/4885CYP26B1 318/4885
US-10294204-B2 Fluorescence compounds and preparation method thereof CDY1; CDY1B, CYP2F1, CYP4F11 ALDH1A1 180/4885TBXA2R 565/4885CYP26B1 318/4885

“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.