SCHEMBL13851997

SCHEMBL13851997

COc1ccc(CCC(NC(C)=O)(C2OC(C)O2)C2OC(C)O2)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.38
S1PR5 Q9H228 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
PPARA Q07869 2/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
PPARD Q03181 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL13851993 0.86 HPGD (0.41) CA12CA1CA2CA9LMNA
SCHEMBL13851994 0.83 SCN9A (0.37) S1PR1MAPTSMN1; SMN2KDM4E
SCHEMBL16140751 0.78 S1PR1 (0.44) S1PR1S1PR5PPARAPPARDKDM4E
SCHEMBL79439 0.78 S1PR1 (0.47) S1PR1S1PR5PPARALMNAMAPT
SCHEMBL2469794 0.74 PKM (0.47) S1PR1S1PR5MAPTKDM4E
SCHEMBL13851996 0.71 TAS1R3 (0.40) MAPT
SCHEMBL2469798 0.69 S1PR1 (0.37) S1PR1S1PR5PPARAPPARD
SCHEMBL3493151 0.69 S1PR1 (0.59) S1PR1S1PR5PPARAPPARD
SCHEMBL86294 0.68 S1PR1 (0.50) S1PR1S1PR5LMNAKDM4E
SCHEMBL31435356 0.68 S1PR1 (0.58) S1PR1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-28 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-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes HRH3, HRH2, HRH4 S1PR1 370/4885S1PR5 463/4885CA12 540/4885

“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.