SCHEMBL4437128

SCHEMBL4437128

CC1=Nc2c(cc(S(=O)(=O)O)c3cc(S(=O)(=O)O)ccc23)C1(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
CYP2C9 P11712 2/20 0.35
CASP6 P55212 2/20 0.35
CYP2C19 P33261 2/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP1A2 P05177 1/20 0.35
TDP1 Q9NUW8 4/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
THRB P10828 2/20 0.33
HPGD P15428 2/20 0.33
BLM P54132 2/20 0.33
F2 P00734 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
PTGS1 P23219 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL4255042 0.85 MPL (0.40) ALDH1A1CYP2C9CASP6CYP2C19HSD17B10
SCHEMBL633391 0.84 MPL (0.33) ALDH1A1CYP2C9CASP6CYP2C19HSD17B10
SCHEMBL137432 0.77 RXRA (0.30) RXRARXRBRXRG
SCHEMBL29329231 0.76 ALDH1A1 (0.41) ALDH1A1CYP2C9CASP6CYP2C19HSD17B10
SCHEMBL4885961 0.76 TTR (0.43) ALDH1A1HSD17B10CYP1A2MEN1KMT2A
Potassium SCHEMBL4171863 0.75 TTR (0.42) ALDH1A1HSD17B10CYP1A2MEN1KMT2A
SCHEMBL29331370 0.75 ALDH1A1 (0.31) ALDH1A1CYP2C9CASP6CYP2C19HSD17B10
SCHEMBL29869219 0.74 RXRA (0.37) ALDH1A1CYP2C9CASP6CYP2C19HSD17B10
SCHEMBL47326 0.74 RXRA (0.37) ALDH1A1CYP2C9CASP6CYP2C19HSD17B10
SCHEMBL23961228 0.73 RXRA (0.33) ALDH1A1MAPTRXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240393330-A1 4,4-DISUBSTITUTED CYCLOHEXYL BRIDGED HEPTAMETHINE CYANINE DYES AND USES THEREOF VISEN MEDICAL, INC. 2024-11-28 US disclosed
US-20220178921-A1 4,4-DISUBSTITUTED CYCLOHEXYL BRIDGED HEPTAMETHINE CYANINE DYES AND USES THEREOF VISEN MEDICAL, INC. 2022-06-09 US disclosed
US-11193932-B2 4,4-disubstituted cyclohexyl bridged heptamethine cyanine dyes and uses thereof VISEN MEDICAL, INC. (US) 2021-12-07 US disclosed
US-20200049709-A1 4,4-DISUBSTITUTED CYCLOHEXYL BRIDGED HEPTAMETHINE CYANINE DYES AND USES THEREOF VISEN MEDICAL, INC. 2020-02-13 US disclosed
US-10473658-B2 4,4-disubstituted cyclohexyl bridged heptamethine cyanine dyes and uses thereof VISEN MEDICAL, INC. (US) 2019-11-12 US disclosed
EP-3489309-A1 4,4-DISUBSTITUTED CYCLOHEXYL BRIDGED HEPTAMETHINE CYANINE DYES AND USES THEREOF Visen Medical, Inc. (US) 2019-05-29 EP disclosed
EP-2970674-B1 4,4-DISUBSTITUTED CYCLOHEXYL BRIDGED HEPTAMETHINE CYANINE DYES AND USES THEREOF VISEN MEDICAL INC (US) 2018-12-12 EP disclosed
EP-2118206-B9 POLYCYCLO DYES AND USE THEREOF VISEN MEDICAL INC (US) 2018-08-29 EP disclosed
US-20180164312-A1 4,4-DISUBSTITUTED CYCLOHEXYL BRIDGED HEPTAMETHINE CYANINE DYES AND USES THEREOF VISEN MEDICAL INC. 2018-06-14 US disclosed
EP-2118206-B1 POLYCYCLO DYES AND USE THEREOF VISEN MEDICAL INC (US) 2018-04-11 EP disclosed
US-9897604-B2 4,4-disubstituted cyclohexyl bridged heptamethine cyanine dyes and uses thereof VISEN MEDICAL, INC. (US) 2018-02-20 US disclosed
US-9365721-B2 Polycyclo dyes and use thereof VISEN MEDICAL, INC. (US) 2016-06-14 US disclosed
EP-2970674-A2 4,4-DISUBSTITUTED CYCLOHEXYL BRIDGED HEPTAMETHINE CYANINE DYES AND USES THEREOF VisEn Medical, Inc. (US) 2016-01-20 EP disclosed
US-20140348746-A1 4,4-DISUBSTITUTED CYCLOHEXYL BRIDGED HEPTAMETHINE CYANINE DYES AND USES THEREOF VISEN MEDICAL, INC. (US) 2014-11-27 US disclosed
WO-2014144702-A2 4,4-DISUBSTITUTED CYCLOHEXYL BRIDGED HEPTAMETHINE CYANINE DYES AND USES THEREOF VISEN MEDICAL, INC. (US) 2014-09-18 WO disclosed
US-20130137873-A1 Polycyclo Dyes and Use Thereof VISEN MEDICAL, INC. 2013-05-30 US disclosed
US-8221721-B2 Fluorescent compounds that contain a bridged polycyclo moiety; can be chemically linked to biomolecules such as proteins, nucleic acids, and therapeutic small molecules; can be used for imaging in medical, biological and diagnostic applications, and are particularly useful for in vivo imaging VISEN MEDICAL, INC. (US) 2012-07-17 US disclosed
EP-2118206-A2 POLYCYCLO DYES AND USE THEREOF Visen Medical, Inc. (US) 2009-11-18 EP disclosed
US-20080286207-A1 Polycyclo Dyes and Use Thereof VISEN MEDICAL, INC. 2008-11-20 US disclosed
WO-2008100817-A2 POLYCYCLO DYES AND USE THEREOF VISEN MEDICAL, INC. (US) 2008-08-21 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 (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-20180164312-A1 4,4-DISUBSTITUTED CYCLOHEXYL BRIDGED HEPTAMETHINE CYANINE DYES AND USES THEREOF CPNE4, LIG4, S100A4 ALDH1A1 3332/4885CYP2C9 1272/4885CASP6 3047/4885
US-20240393330-A1 4,4-DISUBSTITUTED CYCLOHEXYL BRIDGED HEPTAMETHINE CYANINE DYES AND USES THEREOF CPNE4, LIG4, S100A4 ALDH1A1 3332/4885CYP2C9 1272/4885CASP6 3047/4885
US-20140348746-A1 4,4-DISUBSTITUTED CYCLOHEXYL BRIDGED HEPTAMETHINE CYANINE DYES AND USES THEREOF CPNE4, LIG4, S100A4 ALDH1A1 3332/4885CYP2C9 1272/4885CASP6 3047/4885
US-20200049709-A1 4,4-DISUBSTITUTED CYCLOHEXYL BRIDGED HEPTAMETHINE CYANINE DYES AND USES THEREOF CPNE4, LIG4, S100A4 ALDH1A1 3332/4885CYP2C9 1272/4885CASP6 3047/4885
US-20220178921-A1 4,4-DISUBSTITUTED CYCLOHEXYL BRIDGED HEPTAMETHINE CYANINE DYES AND USES THEREOF CPNE4, LIG4, S100A4 ALDH1A1 3332/4885CYP2C9 1272/4885CASP6 3047/4885
US-10473658-B2 4,4-disubstituted cyclohexyl bridged heptamethine cyanine dyes and uses thereof CPNE4, LIG4, S100A4 ALDH1A1 3332/4885CYP2C9 1272/4885CASP6 3047/4885
US-11193932-B2 4,4-disubstituted cyclohexyl bridged heptamethine cyanine dyes and uses thereof CPNE4, LIG4, S100A4 ALDH1A1 3332/4885CYP2C9 1272/4885CASP6 3047/4885
US-20080286207-A1 Polycyclo Dyes and Use Thereof PBRM1, PKD1, PARG ALDH1A1 4179/4885CYP2C9 3992/4885CASP6 2473/4885

“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.