SCHEMBL5752823

SCHEMBL5752823

CCOC(=O)CC(=O)c1ccc(F)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 1/20 0.46
CXCR2 P25025 1/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.42
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX2 P34913 1/20 0.40
MAPT P10636 5/20 0.40
HPGD P15428 1/20 0.39
DGAT1 O75907 1/20 0.39
CASP3 P42574 1/20 0.38
TRPV1 Q8NER1 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
SCHEMBL29939457 0.84 HDAC1 (0.51) CXCR1CXCR2KMT2AALDH1A1MEN1
SCHEMBL10662120 0.84 HDAC1 (0.51) CXCR1CXCR2KMT2AALDH1A1MEN1
SCHEMBL23149668 0.83 ALDH1A1 (0.47) CXCR1CXCR2KMT2AALDH1A1MEN1
SCHEMBL30786505 0.83 ALDH1A1 (0.47) CXCR1CXCR2KMT2AALDH1A1MEN1
SCHEMBL3656932 0.82 KMT2A (0.46) CXCR1CXCR2KMT2AALDH1A1MEN1
SCHEMBL29939525 0.82 ALDH1A1 (0.46) CXCR1CXCR2KMT2AALDH1A1MEN1
SCHEMBL3173315 0.82 DGAT1 (0.60) KMT2AALDH1A1MEN1KDM4EGAA
SCHEMBL10276146 0.81 NPC1 (0.46) CXCR1CXCR2KMT2AALDH1A1MEN1
SCHEMBL6087503 0.81 CA12 (0.53) KMT2AALDH1A1MEN1KDM4ERAB9A
SCHEMBL23149647 0.81 KDM4E (0.56) KMT2AALDH1A1MEN1KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 EP 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP CXCR1 4381/4885CXCR2 4793/4885KMT2A 404/4885

“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.