SCHEMBL1709948

SCHEMBL1709948

O=C(O)c1ccc(O)c(-c2noc(-c3cc(CF)cc(C(F)(F)F)c3)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 0.43
S1PR3 Q99500 3/20 0.43
CHUK O15111 1/20 0.41
TXNRD1 Q16881 1/20 0.41
NOX4 Q9NPH5 1/20 0.41
S1PR4 O95977 1/20 0.40
CYP2C9 P11712 1/20 0.40
S1PR5 Q9H228 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
RARB P10826 1/20 0.39
IP6K1 Q92551 1/20 0.39
IP6K3 Q96PC2 1/20 0.39
IP6K2 Q9UHH9 1/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
NR1H4 Q96RI1 1/20 0.39
PPARD Q03181 1/20 0.39

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
SCHEMBL388121 0.90 S1PR1 (0.52) S1PR1S1PR3CHUKTXNRD1NOX4
SCHEMBL388748 0.83 CHUK (0.55) S1PR1S1PR3CHUKTXNRD1NOX4
SCHEMBL386932 0.83 NPC1 (0.55) S1PR1CHUKTXNRD1NOX4S1PR5
SCHEMBL389079 0.78 RARB (0.47) CHUKTXNRD1NOX4RARBIP6K1
SCHEMBL389093 0.77 NR1H4 (0.46) S1PR1CHUKTXNRD1NOX4RARB
SCHEMBL13525992 0.77 S1PR1 (0.59) S1PR1S1PR3S1PR5NR1H4
SCHEMBL387781 0.76 MAOA (0.46) CHUKTXNRD1NOX4RARBIP6K1
SCHEMBL387937 0.76 NR1H4 (0.59) S1PR1CHUKTXNRD1NOX4IP6K1
SCHEMBL384837 0.75 NR1H4 (0.52) S1PR1RARBNR1H4
SCHEMBL388073 0.75 NR1H4 (0.54) S1PR1CHUKTXNRD1NOX4RARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120087896-A1 HYDROXYLATED 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS, COMPOSITIONS THEREOF AND THEIR USE IN BIOASSAYS PTC THERAPEUTICS, INC. 2012-04-12 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-20120087896-A1 HYDROXYLATED 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS, COMPOSITIONS THEREOF AND THEIR USE IN BIOASSAYS UPF1, RIOX2, RNGTT S1PR1 4518/4885S1PR3 4351/4885CHUK 574/4885

“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.