SCHEMBL8169295

SCHEMBL8169295

COc1cc(Br)ccc1[C@@H](F)CO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
KDM4E B2RXH2 2/20 0.38
LPAR1 Q92633 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PYCR1 P32322 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL3309988 0.81 LPAR1 (0.41) TSHRTDP1KDM4ELPAR1ALDH1A1
SCHEMBL3309982 0.81 LPAR1 (0.41) TSHRTDP1KDM4ELPAR1ALDH1A1
SCHEMBL7947311 0.80 TSHR (0.42) TSHRTDP1KDM4ELPAR1GAA
SCHEMBL27708861 0.77 AGTR1 (0.49) TSHRTDP1ALDH1A1L3MBTL1HTT
SCHEMBL16564328 0.75 LPAR1 (0.43) TSHRTDP1KDM4ELPAR1GAA
SCHEMBL30626962 0.74 LPAR1 (0.49) TSHRTDP1KDM4ELPAR1GAA
SCHEMBL12806459 0.74 LPAR1 (0.49) TSHRTDP1KDM4ELPAR1GAA
SCHEMBL1012545 0.74 ERN1 (0.35) TSHRTDP1KDM4ELPAR1ALDH1A1
SCHEMBL1012544 0.74 ERN1 (0.35) TSHRTDP1KDM4ELPAR1ALDH1A1
SCHEMBL23094465 0.73 LPAR1 (0.37) TSHRTDP1KDM4ELPAR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420830-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-16 US disclosed
US-8420830-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-16 US disclosed
US-20100113488-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-05-06 US disclosed
US-20100113488-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-05-06 US disclosed
WO-2008079836-A2 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-03 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-20100113488-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F5 TSHR 528/4885HPGD 4120/4885TDP1 3255/4885

“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.