SCHEMBL17705272

SCHEMBL17705272

C[C@H](CC(=O)Nc1ccc(S(=O)(=O)C2CC2)c(CN(C)C)c1)c1cc(OBO)ccc1OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.37
NOD2 Q9HC29 1/20 0.37
NOD1 Q9Y239 1/20 0.37
CYP19A1 P11511 5/20 0.37
P2RX4 Q99571 2/20 0.37
LTA4H P09960 2/20 0.36
HTT P42858 2/20 0.35
NR1H4 Q96RI1 1/20 0.34
ACP1 P24666 1/20 0.34
PTPN12 Q05209 1/20 0.34
PTPN13 Q12923 1/20 0.34
SSU72 Q9NP77 1/20 0.34
TSHR P16473 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL17705256 0.88 LRRK2 (0.41) TNFNOD2NOD1CYP19A1P2RX4
SCHEMBL17705271 0.88 LRRK2 (0.41) TNFNOD2NOD1CYP19A1P2RX4
SCHEMBL17705235 0.86 LTA4H (0.41) TNFNOD2NOD1CYP19A1P2RX4
SCHEMBL17705284 0.85 LMNA (0.43) TNFNOD2NOD1CYP19A1LTA4H
SCHEMBL16293780 0.77 LRRK2 (0.35) CYP19A1P2RX4PDE4APDE4BPDE4C
SCHEMBL16294815 0.77 LRRK2 (0.35) CYP19A1P2RX4PDE4APDE4BPDE4C
SCHEMBL16293781 0.77 LRRK2 (0.35) CYP19A1P2RX4PDE4APDE4BPDE4C
SCHEMBL17705212 0.77 RAB9A (0.40) TSHRLMNAMAPT
SCHEMBL17705216 0.77 SMN1; SMN2 (0.42) HTTTSHRLMNAMAPT
SCHEMBL16294814 0.77 CYP19A1 (0.34) TNFNOD2NOD1CYP19A1P2RX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657006-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
US-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-04-28 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-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS F7, F12, F5 TNF 1520/4885NOD2 4690/4885NOD1 4390/4885

“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.