SCHEMBL4753238

SCHEMBL4753238

CC(C)(C)OC(=O)NC(CSC1=C(/C=C/C2=[N+](CCCCSOOO)c3ccccc3C2(C)C)CC/C1=C\C=C1\N(CCCCS(=O)(=O)O)c2ccccc2C1(C)C)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOLR1 P15328 6/20 0.57
HTR1A P08908 1/20 0.48
FOLH1 Q04609 5/20 0.40
PTPN1 P18031 1/20 0.39
CHRM2 P08172 3/20 0.38
CHRM4 P08173 3/20 0.38
CHRM5 P08912 3/20 0.38
CHRM1 P11229 3/20 0.38
CHRM3 P20309 3/20 0.38
HRH2 P25021 2/20 0.37
PRMT1 Q99873 1/20 0.37
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36

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
SCHEMBL4753240 0.90 HTR1A (0.52) FOLR1HTR1APTPN1CHRM2CHRM4
SCHEMBL4753239 0.88 HTR1A (0.47) FOLR1HTR1AFOLH1PTPN1CHRM2
SCHEMBL4753430 0.84 HTR1A (0.46) FOLR1HTR1AFOLH1PTPN1CHRM2
SCHEMBL276744 0.84 HTR1A (0.46) FOLR1HTR1AFOLH1PTPN1CHRM2
SCHEMBL4753260 0.83 HTR1A (0.49) FOLR1HTR1AFOLH1PTPN1CHRM2
SCHEMBL4753277 0.83 HTR1A (0.45) FOLR1HTR1AFOLH1PTPN1CHRM2
SCHEMBL4753508 0.83 HTR1A (0.47) FOLR1HTR1AFOLH1PTPN1CHRM2
SCHEMBL11980722 0.83 FOLR1 (0.60) FOLR1HTR1AFOLH1PTPN1CHRM2
SCHEMBL4753262 0.83 HTR1A (0.44) FOLR1HTR1AFOLH1PTPN1CHRM2
SCHEMBL4753302 0.81 HTR1A (0.47) FOLR1HTR1AFOLH1PTPN1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178282-B2 Heat-sensitive imaging element AGFA GRAPHICS NV (BE) 2012-05-15 US disclosed
US-8148042-B2 Heat-sensitive imaging element AGFA GRAPHICS NV (BE) 2012-04-03 US disclosed
US-20100221662-A1 HEAT-SENSITIVE IMAGING ELEMENT AGFA GRAPHICS NV (BE) 2010-09-02 US disclosed
US-20100040976-A1 HEAT-SENSITIVE IMAGING ELEMENT AGFA GRAPHICS NV (BE) 2010-02-18 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 (2 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-20100040976-A1 HEAT-SENSITIVE IMAGING ELEMENT HEATR1, HEATR6, HSPA8 FOLR1 4305/4885HTR1A 1158/4885FOLH1 3408/4885
US-20100221662-A1 HEAT-SENSITIVE IMAGING ELEMENT HEATR1, HEATR6, HSF1 FOLR1 2818/4885HTR1A 1365/4885FOLH1 3931/4885

“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.