SCHEMBL5582643

SCHEMBL5582643

O=C(Nc1ccc(OB(O)O)cc1)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
MAPT P10636 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
PDK1 Q15118 2/20 0.47
PDK2 Q15119 2/20 0.47
PDK3 Q15120 2/20 0.47
PDK4 Q16654 2/20 0.47
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HDAC1 Q13547 5/20 0.44

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
SCHEMBL5546903 0.80 PDK1 (0.71) EPHX2MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL6517483 0.79 EPHX2 (0.51) EPHX2CA12CA1CA2CA9
SCHEMBL2199733 0.78 MEN1 (0.69) CA12CA1CA2CA9MAPT
SCHEMBL17272756 0.77 PDK1 (0.70) EPHX2CA12CA1CA2CA9
SCHEMBL490629 0.77 CA12 (0.58) CA12CA1CA2CA9MAPT
SCHEMBL17285725 0.76 EPHX2 (0.56) EPHX2CA12CA1CA2CA9
SCHEMBL28738749 0.76 LMNA (0.65) MAPTCYP1A2KMT2AMEN1NPC1
SCHEMBL9923778 0.76 HDAC1 (0.56) EPHX2CA12CA1CA2CA9
SCHEMBL29056860 0.75 ALDH1A1 (0.55) EPHX2MAPTKMT2AMEN1NPC1
SCHEMBL3549311 0.75 CA12 (0.59) CA12CA1CA2CA9MAPT

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-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-7115750-B1 Melanin concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-03 US disclosed
EP-1218336-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed
WO-2001021577-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-29 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-20070173498-A1 Melanin concentrating hormone antagonist MC1R, MCHR1, MCHR2 EPHX2 3752/4885CA12 4089/4885CA1 3906/4885

“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.