SCHEMBL17469339

SCHEMBL17469339

COCc1ccc(NC(=O)C(N)CCCNC(N)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.48
SPHK1 Q9NYA1 6/20 0.47
SPHK2 Q9NRA0 1/20 0.46
S1PR1 P21453 6/20 0.43
S1PR3 Q99500 6/20 0.43
S1PR4 O95977 4/20 0.43
S1PR5 Q9H228 4/20 0.43
S1PR2 O95136 1/20 0.43
ANPEP P15144 1/20 0.41

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
SCHEMBL21208111 0.88 LTA4H (0.47) LTA4HSPHK1SPHK2S1PR1S1PR3
SCHEMBL16645072 0.88 LTA4H (0.47) LTA4HSPHK1SPHK2S1PR1S1PR3
SCHEMBL21849119 0.88 LTA4H (0.47) LTA4HSPHK1SPHK2S1PR1S1PR3
SCHEMBL19155027 0.88 LTA4H (0.48) LTA4HSPHK1SPHK2S1PR1S1PR3
SCHEMBL25100491 0.87 LTA4H (0.46) LTA4HSPHK1SPHK2S1PR1S1PR3
SCHEMBL16791610 0.86 ANPEP (0.48) LTA4HSPHK1SPHK2S1PR1S1PR3
SCHEMBL19234501 0.86 SPHK1 (0.53) LTA4HSPHK1SPHK2S1PR1S1PR3
SCHEMBL20844980 0.86 LTA4H (0.47) LTA4HSPHK1SPHK2S1PR1S1PR3
SCHEMBL21208104 0.85 ANPEP (0.48) LTA4HSPHK1SPHK2S1PR1S1PR3
SCHEMBL17801791 0.85 SPHK1 (0.51) LTA4HSPHK1SPHK2S1PR1S1PR3

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-20160022833-A1 SOLID PHASE TGASE-MEDIATED CONJUGATION OF ANTIBODIES ARARIS BIOTECH LTD (CH) 2016-01-28 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-20160022833-A1 SOLID PHASE TGASE-MEDIATED CONJUGATION OF ANTIBODIES TGM2, TGM3, TGM6 LTA4H 1656/4885SPHK1 4814/4885SPHK2 4848/4885

“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.