SCHEMBL4929185

SCHEMBL4929185

O=C(O)CCC(=O)Nc1ccc(-c2cc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)on2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.45
RORC P51449 1/20 0.43
MME P08473 1/20 0.43
S1PR3 Q99500 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PDGFRB P09619 1/20 0.42
KDR P35968 1/20 0.42
FLT3 P36888 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
PTPN1 P18031 2/20 0.41
PTPRA P18433 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL4929190 1.00 S1PR1 (0.45) S1PR1RORCMMES1PR3CYP1A2
SCHEMBL3275081 0.96 S1PR1 (0.47) S1PR1RORCMMES1PR3ALDH1A1
SCHEMBL3275085 0.96 S1PR1 (0.47) S1PR1RORCMMES1PR3ALDH1A1
SCHEMBL3093188 0.89 S1PR1 (0.42) S1PR1RORCS1PR3CYP1A2CYP3A4
SCHEMBL4930104 0.85 S1PR1 (0.61) S1PR1S1PR3
SCHEMBL4930096 0.85 S1PR1 (0.61) S1PR1S1PR3
SCHEMBL4618965 0.81 MEN1 (0.64) S1PR1RORCS1PR3CYP2C9CYP2C19
SCHEMBL4618961 0.81 MEN1 (0.64) S1PR1RORCS1PR3CYP2C9CYP2C19
SCHEMBL4617985 0.80 S1PR1 (0.45) S1PR1S1PR3CYP1A2CYP3A4CYP2D6
SCHEMBL4619710 0.79 S1PR1 (0.49) S1PR1S1PR3CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306124-A1 Polycyclic Oxadiazoles or I Soxazoles and Their Use as Sip Receptor Ligands NOVARTIS AG (CH) 2008-12-11 US disclosed
US-20080306124-A1 Polycyclic Oxadiazoles or I Soxazoles and Their Use as Sip Receptor Ligands NOVARTIS AG (CH) 2008-12-11 US disclosed
US-20080306124-A1 Polycyclic Oxadiazoles or I Soxazoles and Their Use as Sip Receptor Ligands NOVARTIS AG (CH) 2008-12-11 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-20080306124-A1 Polycyclic Oxadiazoles or I Soxazoles and Their Use as Sip Receptor Ligands SOX18, SIGMAR1, SUCNR1 S1PR1 13/4885RORC 319/4885MME 4804/4885

“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.