SCHEMBL17418696

SCHEMBL17418696

COc1ccnc(C(=O)N[C@H]2COC[C@H](Cc3ccccc3)[C@@H](Cc3ccccc3)[C@H](C)OC2=O)c1O

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SHBG P04278 2/20 0.33
RIPK1 Q13546 3/20 0.32
KMT2A Q03164 1/20 0.32
CASP1 P29466 1/20 0.32

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
SCHEMBL17428163 1.00 SHBG (0.33) SHBGRIPK1KMT2ACASP1
SCHEMBL17428189 0.95 SHBG (0.32) SHBGRIPK1KMT2A
SCHEMBL17428195 0.95 RIPK1 (0.34) SHBGRIPK1
SCHEMBL17428177 0.94 KMT2A (0.32) RIPK1KMT2A
SCHEMBL17428178 0.94 RIPK1 (0.33) RIPK1
SCHEMBL17428191 0.94 TAS1R3 (0.31) RIPK1KMT2ACASP1
SCHEMBL17428187 0.93 P2RX7 (0.33) SHBGRIPK1
SCHEMBL17428186 0.93 NAAA (0.35)
SCHEMBL17428176 0.93 CASP1 (0.31) SHBGRIPK1CASP1
SCHEMBL20099143 0.93 CASP1 (0.31) SHBGRIPK1CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180242582-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2018-08-30 US disclosed
US-9955691-B2 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2018-05-01 US disclosed
US-9955691-B2 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2018-05-01 US disclosed
US-9955691-B2 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2018-05-01 US disclosed
US-20160007601-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC 2016-01-14 US disclosed
US-20160007601-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC 2016-01-14 US disclosed
US-20160007601-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC 2016-01-14 US disclosed
WO-2016007529-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2016-01-14 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 (2 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-20160007601-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES CYP4F12, CYP1A2, FKBP2 SHBG 775/4885RIPK1 4127/4885KMT2A 3234/4885
US-20180242582-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES CYP4F12, CYP1A2, FKBP2 SHBG 775/4885RIPK1 4127/4885KMT2A 3234/4885

“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.