SCHEMBL17705284

SCHEMBL17705284

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
MAPT P10636 1/20 0.43
LTA4H P09960 4/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
KCNA5 P22460 1/20 0.36
KCNH2 Q12809 1/20 0.36
KCNB1 Q14721 1/20 0.36
PTGER1 P34995 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NR1H4 Q96RI1 1/20 0.35
NPY5R Q15761 1/20 0.35
CYP19A1 P11511 1/20 0.35
TNF P01375 1/20 0.35
NOD2 Q9HC29 1/20 0.35
NOD1 Q9Y239 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL17705285 0.87 LRRK2 (0.44) LMNAMAPTLTA4HALDH1A1PTGER1
SCHEMBL17705272 0.85 TNF (0.37) LMNAMAPTLTA4HPTGER1NR1H4
SCHEMBL16293431 0.75 LRRK2 (0.38) LMNAMAPTALDH1A1KDM4EKCNA5
SCHEMBL16293430 0.75 LRRK2 (0.38) LMNAMAPTALDH1A1KDM4EKCNA5
SCHEMBL17700804 0.75 LMNA (0.36) LMNAMAPTALDH1A1KDM4EKCNA5
SCHEMBL17700805 0.75 LMNA (0.36) LMNAMAPTALDH1A1KDM4EKCNA5
SCHEMBL17705256 0.72 LRRK2 (0.41) LMNAALDH1A1RAB9ANR1H4CYP19A1
SCHEMBL17705271 0.72 LRRK2 (0.41) LMNAALDH1A1RAB9ANR1H4CYP19A1
SCHEMBL17700566 0.72 F2 (0.42) LMNAMAPTLTA4HALDH1A1KDM4E
SCHEMBL17700798 0.70 F7 (0.37) LMNAMAPTLTA4HALDH1A1KDM4E

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 LMNA 963/4885MAPT 4625/4885LTA4H 757/4885

“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.