SCHEMBL4121107

SCHEMBL4121107

Cc1ccc(NN=C(Nc2cc(Cl)cc(Cl)c2)C(=O)C(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 2/20 0.41
RAPGEF3 O95398 2/20 0.39
RAPGEF4 Q8WZA2 2/20 0.39
P2RY1 P47900 1/20 0.38
RAB9A P51151 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MCHR1 Q99705 1/20 0.37
PARG Q86W56 1/20 0.37
EPHX2 P34913 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 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
SCHEMBL4121105 1.00 S1PR3 (0.41) S1PR3RAPGEF3RAPGEF4P2RY1RAB9A
SCHEMBL4110003 0.92 S1PR3 (0.49) S1PR3RAPGEF3RAPGEF4P2RY1RAB9A
SCHEMBL4110007 0.92 S1PR3 (0.49) S1PR3RAPGEF3RAPGEF4P2RY1RAB9A
SCHEMBL4123454 0.89 S1PR3 (0.49) S1PR3RAB9AMEN1KMT2ANPC1
SCHEMBL4123456 0.89 S1PR3 (0.49) S1PR3RAB9AMEN1KMT2ANPC1
SCHEMBL4115502 0.88 S1PR3 (0.40) S1PR3RAPGEF3RAPGEF4P2RY1RAB9A
SCHEMBL4118683 0.88 MAOB (0.47) S1PR3RAPGEF3RAPGEF4P2RY1RAB9A
SCHEMBL4115505 0.88 S1PR3 (0.40) S1PR3RAPGEF3RAPGEF4P2RY1RAB9A
SCHEMBL4118686 0.88 MAOB (0.47) S1PR3RAPGEF3RAPGEF4P2RY1RAB9A
SCHEMBL4114968 0.88 MEN1 (0.51) S1PR3RAPGEF3RAPGEF4RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546452-B2 S1P3 receptor antagonist TOA EIYO LTD. (JP) 2013-10-01 US claimed
US-20090170895-A1 S1P3 RECEPTOR ANTAGONIST TOA EIYO LTD. (JP) 2009-07-02 US claimed
EP-1935874-A1 S1P3 RECEPTOR ANTAGONIST TOA EIYO LTD. (JP) 2008-06-25 EP claimed
US-20190117596-A1 TY-52156 COMPOUNDS FOR THE TREATMENT OF CANCER WAYNE STATE UNIVERSITY (US) 2019-04-25 US disclosed
WO-2017190077-A1 TY-52156 COMPOUNDS FOR THE TREATMENT OF CANCER WAYNE STATE UNIVERSITY (US) 2017-11-02 WO disclosed
US-8546452-B2 S1P3 receptor antagonist TOA EIYO LTD. (JP) 2013-10-01 US disclosed
US-20090170895-A1 S1P3 RECEPTOR ANTAGONIST TOA EIYO LTD. (JP) 2009-07-02 US disclosed
EP-1935874-A1 S1P3 RECEPTOR ANTAGONIST TOA EIYO LTD. (JP) 2008-06-25 EP 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-20190117596-A1 TY-52156 COMPOUNDS FOR THE TREATMENT OF CANCER S1PR3, S1PR1, S1PR4 S1PR3 1/4885RAPGEF3 743/4885RAPGEF4 1597/4885
US-20090170895-A1 S1P3 RECEPTOR ANTAGONIST S1PR3, S1PR5, GPR3 S1PR3 1/4885RAPGEF3 722/4885RAPGEF4 1754/4885

“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.