SCHEMBL4804607

SCHEMBL4804607

CCC(=O)c1ccc2c(c1)N(C(C)=O)c1ccccc1S2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 3/20 0.65
CHRM2 P08172 1/20 0.59
HTR1A P08908 1/20 0.59
CHRM1 P11229 1/20 0.59
DRD2 P14416 1/20 0.59
ADRA2B P18089 1/20 0.59
ADRA2C P18825 1/20 0.59
CHRM3 P20309 1/20 0.59
HTR2A P28223 1/20 0.59
HTR2C P28335 1/20 0.59
ADRA1A P35348 1/20 0.59
HRH1 P35367 1/20 0.59
OPRM1 P35372 1/20 0.59
DRD3 P35462 1/20 0.59
OPRK1 P41145 1/20 0.59
HTR2B P41595 1/20 0.59
KCNH2 Q12809 1/20 0.59
TP53 P04637 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59

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
SCHEMBL1928484 0.88 NOX1 (0.63) NOX1CHRM2HTR1ACHRM1DRD2
SCHEMBL30725912 0.86 NOX1 (0.73) NOX1CHRM2HTR1ACHRM1DRD2
SCHEMBL4622014 0.86 NOX1 (0.73) NOX1CHRM2HTR1ACHRM1DRD2
SCHEMBL30198410 0.81 NOX1 (1.00) NOX1MAPTBCHEPOLBATM
SCHEMBL341905 0.81 NOX1 (1.00) NOX1MAPTBCHEPOLBATM
SCHEMBL17297109 0.77 NOX1 (0.73) NOX1MAPTLMNAMAPK1TDP1
SCHEMBL8870414 0.77 NOX1 (0.73) NOX1MAPTMEN1KMT2ALMNA
SCHEMBL1927994 0.76 BCHE (0.56) HTR2CADRA1AHTR2BMAPTMEN1
SCHEMBL24439550 0.75 NOX1 (0.69) NOX1MAPTBCHESNCA
SCHEMBL17297108 0.75 NOX1 (0.69) NOX1MAPTLMNAMAPK1TDP1

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-7465721-B2 2-hydroxytetrahydrofuran derivatives and use thereof as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2008-12-16 US disclosed
US-7384933-B2 Derivatives of 2-hydroxytetrahydrofuran and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2008-06-10 US disclosed
US-20060166893-A1 Novel 2-hydroxytetrahydrofurane derivatives and use thereof as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 2006-07-27 US disclosed
US-20050222045-A1 Novel derivatives of 2-hydroxytetrahydrofuran and their use as medicaments IPSEN PHARMA S.A.S. (FR) 2005-10-06 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-20060166893-A1 Novel 2-hydroxytetrahydrofurane derivatives and use thereof as medicaments CAPN2, CAPN1, CAPNS1 NOX1 264/4885CHRM2 2543/4885HTR1A 3018/4885
US-20050222045-A1 Novel derivatives of 2-hydroxytetrahydrofuran and their use as medicaments CAPN1, MYH10, CAPN9 NOX1 855/4885CHRM2 92/4885HTR1A 1276/4885

“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.