SCHEMBL17705235

SCHEMBL17705235

CN(C)Cc1cc(NC(=O)CCc2cc(OBO)ccc2OCc2ccccc2)ccc1S(=O)(=O)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.41
MTNR1A P48039 3/20 0.39
CYP19A1 P11511 3/20 0.38
P2RX4 Q99571 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
MTNR1B P49286 2/20 0.37
EPHX2 P34913 2/20 0.37
TNF P01375 1/20 0.37
NOD2 Q9HC29 1/20 0.37
NOD1 Q9Y239 1/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
PTGER1 P34995 2/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
MEN1 O00255 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
SCHEMBL17705221 0.88 BRD4 (0.45) LMNAMAPTMEN1KMT2A
SCHEMBL17705260 0.87 BRD4 (0.34) P2RX4LMNAMAPTKMT2A
SCHEMBL17705272 0.86 TNF (0.37) LTA4HCYP19A1P2RX4TNFNOD2
SCHEMBL17705212 0.85 RAB9A (0.40) LMNAMAPTMEN1KMT2A
SCHEMBL17705225 0.84 MEN1 (0.34) P2RX4HTTLMNAPOLBMAPT
SCHEMBL17705268 0.84 LMNA (0.33) LMNAMAPTMEN1KMT2A
SCHEMBL17705215 0.79 TP53 (0.38) HTTLMNAPOLBMAPTMEN1
SCHEMBL17705216 0.78 SMN1; SMN2 (0.42) HTTLMNAMAPTMEN1KMT2A
SCHEMBL16293792 0.76 PTGER1 (0.37) CYP19A1P2RX4HDAC1HDAC2LMNA
SCHEMBL17705256 0.75 LRRK2 (0.41) CYP19A1P2RX4TNFNOD2NOD1

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 LTA4H 757/4885MTNR1A 3899/4885CYP19A1 405/4885

“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.