SCHEMBL15095683

SCHEMBL15095683

CC1=[N+](CCCS(=O)(=O)O)c2ccc3c(S(=O)(=O)O)cc(S(=O)(=O)O)cc3c2C1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.44
MLNR O43193 1/20 0.30
NR1I2 O75469 1/20 0.30
PGR P06401 1/20 0.30
ADRB1 P08588 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD2 P14416 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
CHRM3 P20309 1/20 0.30
CNR1 P21554 1/20 0.30
DRD1 P21728 1/20 0.30
TBXA2R P21731 1/20 0.30
SLC6A2 P23975 1/20 0.30
HRH2 P25021 1/20 0.30
HTR2C P28335 1/20 0.30
BDKRB2 P30411 1/20 0.30
ADORA1 P30542 1/20 0.30
AGTR1 P30556 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
SCHEMBL19895035 0.99 FOLH1 (0.43) FOLH1
SCHEMBL15095693 0.97 FOLH1 (0.45) FOLH1MLNRNR1I2PGRADRB1
SCHEMBL136522 0.93 FOLH1 (0.41) FOLH1MLNRNR1I2PGRADRB1
SCHEMBL14299278 0.90 FOLH1 (0.36) FOLH1MLNRNR1I2PGRADRB1
SCHEMBL29331394 0.89 FOLH1 (0.40) FOLH1
SCHEMBL19064231 0.89 FOLH1 (0.40) FOLH1
SCHEMBL16252460 0.89 FOLH1 (0.37) FOLH1KMT2A
SCHEMBL10111349 0.89 FOLH1 (0.39) FOLH1ALDH1A1
SCHEMBL19976547 0.87 FOLH1 (0.33) FOLH1
SCHEMBL10077596 0.85 FOLH1 (0.51) FOLH1TBXA2RALDH1A1HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20200140690-A1 POLYMERIZABLE NEAR-IR DYES PROFUSA, INC. (US) 2020-05-07 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
US-20180164312-A1 4,4-DISUBSTITUTED CYCLOHEXYL BRIDGED HEPTAMETHINE CYANINE DYES AND USES THEREOF VISEN MEDICAL INC. 2018-06-14 US disclosed
EP-2630196-B1 CYANINE DYES AND THEIR CONJUGATES LI COR INC (US) 2017-09-06 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-8481752-B2 Fluorescent imaging with substituted cyanine dyes LI-COR, INC. (US) 2013-07-09 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 (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-20180164312-A1 4,4-DISUBSTITUTED CYCLOHEXYL BRIDGED HEPTAMETHINE CYANINE DYES AND USES THEREOF CPNE4, LIG4, S100A4 FOLH1 831/4885MLNR 2142/4885NR1I2 948/4885
US-20140348746-A1 4,4-DISUBSTITUTED CYCLOHEXYL BRIDGED HEPTAMETHINE CYANINE DYES AND USES THEREOF CPNE4, LIG4, S100A4 FOLH1 831/4885MLNR 2142/4885NR1I2 948/4885
US-20220178921-A1 4,4-DISUBSTITUTED CYCLOHEXYL BRIDGED HEPTAMETHINE CYANINE DYES AND USES THEREOF CPNE4, LIG4, S100A4 FOLH1 831/4885MLNR 2142/4885NR1I2 948/4885
US-10473658-B2 4,4-disubstituted cyclohexyl bridged heptamethine cyanine dyes and uses thereof CPNE4, LIG4, S100A4 FOLH1 831/4885MLNR 2142/4885NR1I2 948/4885
US-11193932-B2 4,4-disubstituted cyclohexyl bridged heptamethine cyanine dyes and uses thereof CPNE4, LIG4, S100A4 FOLH1 831/4885MLNR 2142/4885NR1I2 948/4885

“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.