SCHEMBL17705256

SCHEMBL17705256

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 5/20 0.41
CYP19A1 P11511 3/20 0.39
P2RX4 Q99571 1/20 0.39
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CCR5 P51681 3/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
ACP1 P24666 1/20 0.36
PTPN12 Q05209 1/20 0.36
PTPN13 Q12923 1/20 0.36
SSU72 Q9NP77 1/20 0.36
TNF P01375 1/20 0.36
NOD2 Q9HC29 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
SCHEMBL17705271 1.00 LRRK2 (0.41) LRRK2CYP19A1P2RX4LMNATP53
SCHEMBL17705272 0.88 TNF (0.37) CYP19A1P2RX4LMNAPDE4APDE4B
SCHEMBL16294815 0.88 LRRK2 (0.35) LRRK2CYP19A1P2RX4LMNATP53
SCHEMBL16293781 0.88 LRRK2 (0.35) LRRK2CYP19A1P2RX4LMNATP53
SCHEMBL16293780 0.88 LRRK2 (0.35) LRRK2CYP19A1P2RX4LMNATP53
SCHEMBL17705234 0.85 LRRK2 (0.42) LRRK2CYP19A1P2RX4LMNAL3MBTL1
SCHEMBL17705285 0.84 LRRK2 (0.44) LRRK2LMNACCR5ALDH1A1RAB9A
SCHEMBL18892152 0.81 LMNA (0.33) P2RX4LMNATP53L3MBTL1ALDH1A1
SCHEMBL18892498 0.81 LMNA (0.33) P2RX4LMNATP53L3MBTL1ALDH1A1
SCHEMBL16294814 0.79 CYP19A1 (0.34) CYP19A1P2RX4PDE4APDE4BPDE4C

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 LRRK2 4310/4885CYP19A1 405/4885P2RX4 4644/4885

“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.