SCHEMBL16747652

SCHEMBL16747652

CCCCOC[C@H](C(=O)O)c1ccc(Br)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
HTT P42858 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
KDM4E B2RXH2 6/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
RAB9A P51151 1/20 0.36
PYGL P06737 1/20 0.36
CYP2C9 P11712 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.35
RARB P10826 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 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
SCHEMBL13361301 1.00 ATM (0.40) ATMCYSLTR2CYSLTR1HTTPPARG
SCHEMBL13332300 0.80 MEN1 (0.43) PPARAKDM4EKMT2ASMN1; SMN2
SCHEMBL13361502 0.79 USP2 (0.36) ATMCYSLTR2CYSLTR1HTTKDM4E
SCHEMBL16747617 0.79 USP2 (0.36) ATMCYSLTR2CYSLTR1HTTKDM4E
SCHEMBL16744658 0.79 HTT (0.39) HTTKDM4ECYP2C9KMT2ATDP1
SCHEMBL1357313 0.79 HTT (0.39) HTTKDM4ECYP2C9KMT2ATDP1
SCHEMBL8169224 0.79 HTT (0.39) HTTKDM4ECYP2C9KMT2ATDP1
SCHEMBL16747618 0.78 ATM (0.34) ATMCYSLTR2CYSLTR1HTTKDM4E
SCHEMBL16747612 0.76 ATM (0.32) ATMCYSLTR2CYSLTR1HTTKDM4E
SCHEMBL27795423 0.72 LMNA (0.48) KDM4ERAB9ALMNAKMT2ATDP1

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-9174974-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-03 US disclosed
US-20150148313-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-05-28 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-20150148313-A1 MACROCYCLIC FACTOR VIIA INHIBITORS F7, F12, F5 ATM 3586/4885CYSLTR2 2428/4885CYSLTR1 2710/4885

“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.