SCHEMBL16294698

SCHEMBL16294698

O=C(O)CCc1cc(Br)ccc1OCC(F)F

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.50
FOS P01100 2/20 0.48
JUN P05412 2/20 0.48
PTGER1 P34995 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FFAR1 O14842 2/20 0.40
FFAR4 Q5NUL3 2/20 0.40
NPC1 O15118 1/20 0.40
GPR17 Q13304 1/20 0.39
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL16293393 0.85 ALDH1A1 (0.41) PTGDR2FOSJUNTDP1NPC1
SCHEMBL16293527 0.82 PTGDR2 (0.48) PTGDR2PTGER1POLBTSHRCTDSP1
SCHEMBL16294286 0.80 CCR5 (0.41) PTGDR2NPC1
SCHEMBL17152708 0.80 PTGDR2 (0.38) PTGDR2MAPK1HSD17B10
SCHEMBL7994543 0.78 KDM4E (0.55) PTGDR2POLBTDP1L3MBTL1FFAR4
SCHEMBL16307003 0.78 LTB4R (0.57) PTGDR2FOSJUNPTGER1PTGER4
SCHEMBL16294058 0.78 PTGER1 (0.64) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL8734857 0.77 FFAR1 (0.54) PTGDR2PTGER1PTGER4PTGER3PTGER2
SCHEMBL16294005 0.76 PTGDR2 (0.40) PTGDR2MAPK1HSD17B10
SCHEMBL16306984 0.75 ALDH1A1 (0.41) PTGDR2TDP1NPC1MAPK1HSD17B10

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 11 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-9657006-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
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
US-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-04-28 US disclosed
US-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-04-28 US disclosed
EP-3008052-A1 MACROCYCLIC FACTOR VIIA INHIBITORS Bristol-Myers Squibb Company (US) 2016-04-20 EP disclosed
WO-2014201073-A9 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-08 WO disclosed
WO-2014201073-A9 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-08 WO disclosed
WO-2014201073-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-18 WO disclosed
WO-2014201073-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-18 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 (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 PTGDR2 2329/4885FOS 1577/4885JUN 734/4885

“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.