SCHEMBL2468253

SCHEMBL2468253

CCCCCCCCOc1ccc(CCC(N)(CO)CO)cc1C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 1.00
S1PR3 Q99500 7/20 0.56
TNNC1 P63316 6/20 0.56
S1PR4 O95977 5/20 0.56
S1PR5 Q9H228 5/20 0.56
SGPL1 O95470 1/20 0.56
GPR183 P32249 1/20 0.56
CERS2 Q96G23 1/20 0.56
SPHK2 Q9NRA0 2/20 0.50
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
SPHK1 Q9NYA1 1/20 0.50
S1PR2 O95136 3/20 0.48
CYP3A4 P08684 1/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
Amiselimod SCHEMBL2463680 1.00 S1PR1 (1.00) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL12336974 1.00 S1PR1 (1.00) S1PR1S1PR3TNNC1S1PR4S1PR5
Amiselimod SCHEMBL29691985 1.00 S1PR1 (1.00) S1PR1S1PR3TNNC1S1PR4S1PR5
Hydrochloric Acid SCHEMBL2462139 0.99 S1PR1 (0.98) S1PR1S1PR3TNNC1S1PR4S1PR5
Amiselimod SCHEMBL30029360 0.99 S1PR1 (0.98) S1PR1S1PR3TNNC1S1PR4S1PR5
Amiselimod SCHEMBL2463915 0.99 S1PR1 (0.98) S1PR1S1PR3TNNC1S1PR4S1PR5
Hydrochloric Acid SCHEMBL2465803 0.99 S1PR1 (0.98) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL12336900 0.95 S1PR1 (0.91) S1PR1S1PR3TNNC1S1PR4S1PR5
Hydrochloric Acid SCHEMBL2464567 0.94 S1PR1 (0.89) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL12337616 0.94 S1PR1 (0.89) S1PR1S1PR3TNNC1S1PR4S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-02 US disclosed
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-02 US disclosed
US-8809304-B2 Amine compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-19 US disclosed
US-8809304-B2 Amine compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-19 US disclosed
EP-1961734-B1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2011-09-14 EP disclosed
EP-1961734-B1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2011-09-14 EP disclosed
US-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-28 US disclosed
US-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-28 US disclosed
EP-1961734-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-27 EP disclosed
EP-1961734-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-27 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-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes HRH3, HRH2, HRH4 S1PR1 370/4885S1PR3 369/4885TNNC1 402/4885
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES HRH3, HRH2, HRH4 S1PR1 370/4885S1PR3 369/4885TNNC1 402/4885

“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.