SCHEMBL4118683

SCHEMBL4118683

CC(C)(C)C(=O)/C(=N\Nc1ccc(F)cc1)Nc1cc(Cl)cc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
S1PR3 Q99500 2/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
RAPGEF3 O95398 4/20 0.42
RAPGEF4 Q8WZA2 2/20 0.42
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX12 P18054 2/20 0.39
AHR P35869 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38

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
SCHEMBL4118686 1.00 MAOB (0.47) MAOBS1PR3MEN1KMT2ARAPGEF3
SCHEMBL4110007 0.91 S1PR3 (0.49) S1PR3MEN1KMT2ARAPGEF3RAPGEF4
SCHEMBL4110003 0.91 S1PR3 (0.49) S1PR3MEN1KMT2ARAPGEF3RAPGEF4
SCHEMBL4102776 0.90 S1PR3 (0.48) S1PR3MEN1KMT2AMAPTALDH1A1
SCHEMBL4102773 0.90 S1PR3 (0.48) S1PR3MEN1KMT2AMAPTALDH1A1
SCHEMBL4115659 0.88 S1PR3 (0.50) S1PR3MEN1KMT2ARAPGEF3RAPGEF4
SCHEMBL4121105 0.88 S1PR3 (0.41) S1PR3MEN1KMT2ARAPGEF3RAPGEF4
SCHEMBL4115661 0.88 S1PR3 (0.50) S1PR3MEN1KMT2ARAPGEF3RAPGEF4
SCHEMBL4121107 0.88 S1PR3 (0.41) S1PR3MEN1KMT2ARAPGEF3RAPGEF4
SCHEMBL4115701 0.88 ALDH1A1 (0.48) MEN1KMT2AMAPTALDH1A1ALOX12

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 MAOB 4686/4885S1PR3 1/4885MEN1 1023/4885
US-20090170895-A1 S1P3 RECEPTOR ANTAGONIST S1PR3, S1PR5, GPR3 MAOB 4062/4885S1PR3 1/4885MEN1 1287/4885

“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.