SCHEMBL6677428

SCHEMBL6677428

O=C(NCCCc1ccc(S(=O)(=O)c2ccc(OCc3ccccc3)c(O)c2)cc1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.47
MTNR1B P49286 4/20 0.47
POLB P06746 2/20 0.42
RAF1 P04049 1/20 0.42
MAP2K1 Q02750 1/20 0.42
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
KMT2A Q03164 2/20 0.40
HTT P42858 2/20 0.40
MLYCD O95822 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC2A1 P11166 1/20 0.39
OPRK1 P41145 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL6541781 0.94 POLB (0.48) POLBKMT2AHTTLMNAMEN1
SCHEMBL6676001 0.88 MTNR1A (0.47) MTNR1AMTNR1BPOLBEGFRERBB2
SCHEMBL6680585 0.86 MTNR1A (0.50) MTNR1AMTNR1BPOLBEGFRERBB2
SCHEMBL6680417 0.85 MTNR1A (0.45) MTNR1AMTNR1BPOLBKMT2AMEN1
SCHEMBL6539981 0.83 MTNR1A (0.52) MTNR1AMTNR1BKMT2AMEN1NPC1
SCHEMBL6806399 0.82 CA2 (0.43) MTNR1AMTNR1BPOLBEGFRERBB2
SCHEMBL6679678 0.82 POLB (0.43) MTNR1AMTNR1BPOLBKMT2AHTT
SCHEMBL6805809 0.80 MEN1 (0.44) MTNR1AMTNR1BPOLBKMT2AHTT
SCHEMBL6682136 0.79 POLB (0.45) POLBKMT2ALMNAMEN1GAA
SCHEMBL6541135 0.79 TSHR (0.50) LMNAALDH1A1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 US disclosed
WO-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 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 (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-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 MTNR1A 1674/4885MTNR1B 1266/4885POLB 972/4885

“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.