SCHEMBL2984099

SCHEMBL2984099

CC(C)(C)C1c2ccc(I)cc2CCCN1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.38
DPP8 Q6V1X1 3/20 0.38
AKR1C3 P42330 2/20 0.37
SRD5A1 P18405 1/20 0.36
RIPK1 Q13546 4/20 0.35
AKR1C1 Q04828 1/20 0.34
CCR2 P41597 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CAMK2A Q9UQM7 1/20 0.32
GRIN2C Q14957 1/20 0.31
KIF11 P52732 1/20 0.31

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
SCHEMBL4639207 0.85 BRD4 (0.42) DPP4DPP8RIPK1ALDH1A1
SCHEMBL19638457 0.85 CAMK2A (0.47) DPP4DPP8AKR1C3SRD5A1RIPK1
SCHEMBL3664186 0.81 DPP4 (0.42) DPP4DPP8AKR1C3AKR1C1
SCHEMBL3657288 0.79 HDAC6 (0.40) DPP4DPP8ALDH1A1
SCHEMBL4032578 0.77 ESR1 (0.51)
SCHEMBL3662939 0.77 MTNR1B (0.41) AKR1C3SRD5A1
SCHEMBL31546529 0.76 CAMK2A (0.43) DPP4DPP8AKR1C3SRD5A1CAMK2A
SCHEMBL3664252 0.76 NR1H2 (0.45) DPP4DPP8
SCHEMBL2123936 0.76 CAMK2A (0.43) DPP4DPP8AKR1C3SRD5A1CAMK2A
SCHEMBL4638198 0.76 DPP4 (0.36) DPP4DPP8ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222669-B1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LTD (GB) 2013-08-21 EP disclosed
US-8222245-B2 Oxadiazole derivatives active on sphingosine-1-phosphate (S1P) GLAXO GROUP LIMITED (GB) 2012-07-17 US disclosed
US-20100273771-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LIMITED (GB) 2010-10-28 US disclosed
EP-2222669-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) Glaxo Group Limited (GB) 2010-09-01 EP disclosed
US-20100174065-A1 COMPOUNDS GLAXO GROUP LIMITED (US) 2010-07-08 US disclosed
WO-2009080725-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LIMITED (GB) 2009-07-02 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 (2 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-20100174065-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 DPP4 100/4885DPP8 201/4885AKR1C3 815/4885
US-20100273771-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) S1PR3, S1PR1, S1PR2 DPP4 575/4885DPP8 830/4885AKR1C3 1267/4885

“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.