SCHEMBL17044967

SCHEMBL17044967

O=C(O)[C@@](O)(CCC(F)(F)F)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
CES1 P23141 6/20 0.43
FDPS P14324 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SLC13A5 Q86YT5 3/20 0.41
ARG1 P05089 1/20 0.39
ARG2 P78540 1/20 0.39
MMP8 P22894 1/20 0.37
PTPN1 P18031 1/20 0.37
TSHR P16473 1/20 0.37
FAAH O00519 3/20 0.37
EPHX2 P34913 1/20 0.36
CES2 O00748 1/20 0.36
AKR1B1 P15121 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 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
SCHEMBL15620629 1.00 SMN1; SMN2 (0.47) SMN1; SMN2HIF1ACES1FDPSCYP1A2
SCHEMBL419615 0.82 SMN1; SMN2 (0.59) SMN1; SMN2HIF1ACES1FDPSCYP1A2
SCHEMBL9557132 0.80 SMN1; SMN2 (0.53) SMN1; SMN2HIF1AFDPSCYP1A2CYP2C9
SCHEMBL28979783 0.77 SMN1; SMN2 (0.52) SMN1; SMN2HIF1AFDPSCYP1A2CYP2C9
SCHEMBL7023498 0.77 KMT2A (0.52) SMN1; SMN2HIF1AFDPSCYP1A2CYP2C9
SCHEMBL3730337 0.77 SMN1; SMN2 (0.53) SMN1; SMN2HIF1ACES1FDPSCYP1A2
SCHEMBL7300860 0.76 SLC13A5 (0.56) SMN1; SMN2HIF1AFDPSCYP1A2CYP2C9
SCHEMBL7908936 0.76 SMN1; SMN2 (0.52) SMN1; SMN2HIF1ACES1FDPSCYP1A2
SCHEMBL10029155 0.76 SMN1; SMN2 (0.52) SMN1; SMN2HIF1ACES1FDPSCYP1A2
SCHEMBL7908766 0.76 SMN1; SMN2 (0.52) SMN1; SMN2HIF1ACES1FDPSCYP1A2

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-9249157-B2 Tricyclic heterocycle compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2016-02-02 US disclosed
US-20150246930-A1 TRICYCLIC HETEROCYCLE COMPOUNDS BRISTOL-MEYERS SQUIBB COMPANY (US) 2015-09-03 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-20150246930-A1 TRICYCLIC HETEROCYCLE COMPOUNDS RCOR3, NR4A3, NCOA3 SMN1; SMN2 4339/4885HIF1A 1536/4885CES1 1120/4885

“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.