SCHEMBL14865837

SCHEMBL14865837

CS(=O)(=O)NCCCCCCN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 2/20 0.45
RELA Q04206 4/20 0.44
GRIA1 P42261 3/20 0.43
POLB P06746 1/20 0.42
CYP1A2 P05177 4/20 0.41
CYP2C9 P11712 4/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C19 P33261 3/20 0.41
SCN1A P35498 2/20 0.41
SCN2A Q99250 2/20 0.41
SCN3A Q9NY46 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 3/20 0.40
PPARA Q07869 2/20 0.40
ALOX15 P16050 2/20 0.40
THPO P40225 2/20 0.40
CA12 O43570 1/20 0.40
F13A1 P00488 1/20 0.40

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
SCHEMBL5853948 1.00 PAOX (0.45) PAOXRELAGRIA1POLBCYP1A2
Hydrochloric Acid SCHEMBL1301180 0.95 LMNA (0.44) PAOXRELAGRIA1POLBCYP1A2
SCHEMBL122731 0.90
Hydrochloric Acid SCHEMBL146194 0.88 POLB (0.44) RELAGRIA1POLBCYP1A2CYP2C9
SCHEMBL14739086 0.87 GRIA1 (0.52) GRIA1POLBALDH1A1KDM4EPPARA
SCHEMBL14739515 0.87 GRIA1 (0.52) GRIA1POLBALDH1A1KDM4EPPARA
SCHEMBL14739816 0.87 GRIA1 (0.52) GRIA1POLBALDH1A1KDM4EPPARA
SCHEMBL14740061 0.87 GRIA1 (0.52) GRIA1POLBALDH1A1KDM4EPPARA
SCHEMBL14739265 0.87 GRIA1 (0.52) GRIA1POLBALDH1A1KDM4EPPARA
SCHEMBL14740248 0.87 GRIA1 (0.52) GRIA1POLBALDH1A1KDM4EPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190016896-A1 NOVEL RHODAMINE DYES AND CONJUGATES PHARMACOPHOTONICS, INC. D/B/A FAST DIAGNOSTICS 2019-01-17 US disclosed
US-20160208101-A1 NOVEL RHODAMINE DYES AND CONJUGATES PHARMACOPHOTONICS, INC. D/B/A FAST DIAGNOSTICS 2016-07-21 US disclosed
US-20160208101-A1 NOVEL RHODAMINE DYES AND CONJUGATES PHARMACOPHOTONICS, INC. D/B/A FAST DIAGNOSTICS 2016-07-21 US disclosed
US-9169398-B2 Rhodamine dyes and conjugates PHARMACOPHOTONICS, INC. (US) 2015-10-27 US disclosed
US-9169398-B2 Rhodamine dyes and conjugates PHARMACOPHOTONICS, INC. (US) 2015-10-27 US disclosed
US-20140256946-A1 NOVEL RHODAMINE DYES AND CONJUGATES PHARMACOPHOTONICS, INC. D/B/A FAST DIAGNOSTICS (US) 2014-09-11 US disclosed
US-20140256946-A1 NOVEL RHODAMINE DYES AND CONJUGATES PHARMACOPHOTONICS, INC. D/B/A FAST DIAGNOSTICS (US) 2014-09-11 US disclosed
US-8809531-B2 Rhodamine dyes and conjugates PHARMACOPHOTONICS, INC. (US) 2014-08-19 US disclosed
US-8809531-B2 Rhodamine dyes and conjugates PHARMACOPHOTONICS, INC. (US) 2014-08-19 US disclosed
US-20130096309-A1 NOVEL RHODAMINE DYES AND CONJUGATES PHARMACOPHOTONICS, INC. D/B/A FAST DIAGNOSTICS 2013-04-18 US disclosed
US-20130096309-A1 NOVEL RHODAMINE DYES AND CONJUGATES PHARMACOPHOTONICS, INC. D/B/A FAST DIAGNOSTICS 2013-04-18 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 (1 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-20190016896-A1 NOVEL RHODAMINE DYES AND CONJUGATES RDX, CIT, RCN1 PAOX 3358/4885RELA 2855/4885GRIA1 1060/4885

“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.