SCHEMBL3971431

SCHEMBL3971431

CC1=C(C(=O)Nc2ccccc2B(O)O)SCCO1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.66
HSD17B10 Q99714 1/20 0.66
KMT2A Q03164 8/20 0.58
NPC1 O15118 2/20 0.58
POLB P06746 2/20 0.54
MEN1 O00255 4/20 0.49
RAB9A P51151 3/20 0.49
ADRB2 P07550 1/20 0.48

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
SCHEMBL11375431 0.85 MAPK1 (0.71) MAPK1HSD17B10KMT2ANPC1POLB
SCHEMBL3971421 0.83 MAPK1 (0.67) MAPK1HSD17B10KMT2ANPC1POLB
SCHEMBL3773062 0.83 MAPK1 (0.45) MAPK1HSD17B10KMT2ANPC1POLB
SCHEMBL8930142 0.82 MAPK1 (0.70) MAPK1HSD17B10KMT2ANPC1POLB
SCHEMBL14439499 0.81 HSD17B10 (0.68) MAPK1HSD17B10KMT2ANPC1POLB
SCHEMBL11163951 0.81 MAPK1 (0.64) MAPK1HSD17B10KMT2ANPC1POLB
Carboxin SCHEMBL8819780 0.80 MAPK1 (1.00) MAPK1HSD17B10KMT2ANPC1POLB
Carboxin SCHEMBL18392 0.80 MAPK1 (1.00) MAPK1HSD17B10KMT2ANPC1POLB
SCHEMBL3968485 0.79 MAPK1 (0.62) MAPK1HSD17B10KMT2ANPC1POLB
SCHEMBL3761969 0.77 MAPK1 (0.59) MAPK1HSD17B10KMT2ANPC1POLB

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
EP-1509513-B1 MICROBICIDAL OXATHIINCARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2009-07-29 EP disclosed
US-7119049-B2 Oxathiinecarboxamides BAYER CROPSCIENCE AG (DE) 2006-10-10 US disclosed
US-20050203171-A1 Oxathiincarboxamides BAYER CROPSCIENCE AG (DE) 2005-09-15 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 (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-20050203171-A1 Oxathiincarboxamides MRPL21, ODC1, DDT MAPK1 4217/4885HSD17B10 3440/4885KMT2A 1978/4885

“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.