SCHEMBL17358593

SCHEMBL17358593

COc1ccc(C(OC[C@H](F)[C@H](C)C(O)CO)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 10/20 0.43
AHR P35869 1/20 0.40
SLC6A1 P30531 2/20 0.38
SLC6A11 P48066 1/20 0.38
GPR88 Q9GZN0 1/20 0.38
KCNH2 Q12809 1/20 0.37
TK1 P04183 1/20 0.36

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
SCHEMBL17357648 0.91 KIF11 (0.42) KIF11AHRSLC6A1SLC6A11KCNH2
SCHEMBL17357645 0.89 KIF11 (0.44) KIF11AHRSLC6A1SLC6A11KCNH2
SCHEMBL9508740 0.84 KIF11 (0.49) KIF11SLC6A1SLC6A11KCNH2TK1
SCHEMBL15281845 0.81 KIF11 (0.49) KIF11SLC6A1SLC6A11KCNH2TK1
SCHEMBL3490250 0.81 KIF11 (0.49) KIF11SLC6A1SLC6A11KCNH2TK1
SCHEMBL24937040 0.81 LMNA (0.46) KIF11SLC6A1SLC6A11KCNH2
SCHEMBL10434091 0.81 LMNA (0.46) KIF11SLC6A1SLC6A11KCNH2
SCHEMBL10434128 0.81 LMNA (0.46) KIF11SLC6A1SLC6A11KCNH2
SCHEMBL17359776 0.81 PLA2G2A (0.39) KIF11AHRSLC6A1SLC6A11KCNH2
SCHEMBL16214813 0.80 KIF11 (0.50) KIF11AHRSLC6A1SLC6A11KCNH2

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-20170143749-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2017-05-25 US disclosed
US-20170143751-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2017-05-25 US disclosed
US-9603863-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2017-03-28 US disclosed
US-20150366887-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2015-12-24 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 (3 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-20170143749-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, TYMP KIF11 4078/4885AHR 3808/4885SLC6A1 3339/4885
US-20170143751-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B KIF11 3524/4885AHR 4311/4885SLC6A1 2055/4885
US-20150366887-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B KIF11 3524/4885AHR 4311/4885SLC6A1 2055/4885

“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.