SCHEMBL6290986

SCHEMBL6290986

CCCC[C@H](N)C(=O)Nc1ccc(C(c2ccc(NC(=O)[C@@H](N)CCCC)cc2)c2ccc(NC(=O)[C@@H](N)CCCC)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 6/20 0.59
CHEK1 O14757 1/20 0.59
SPHK2 Q9NRA0 1/20 0.58
S1PR1 P21453 5/20 0.53
S1PR3 Q99500 5/20 0.53
S1PR4 O95977 2/20 0.53
S1PR5 Q9H228 2/20 0.53
S1PR2 O95136 1/20 0.53
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA14 Q9ULX7 1/20 0.49
ERAP2 Q6P179 2/20 0.48
LNPEP Q9UIQ6 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL23454623 0.85 SPHK1 (0.59) SPHK1CHEK1SPHK2S1PR1S1PR3
SCHEMBL9267426 0.84 MEN1 (0.61) SPHK1CHEK1SPHK2S1PR1S1PR3
SCHEMBL5264997 0.84 MEN1 (0.61) SPHK1CHEK1SPHK2S1PR1S1PR3
SCHEMBL26266218 0.84 SPHK1 (0.68) SPHK1CHEK1SPHK2S1PR1S1PR3
SCHEMBL13107654 0.82 TAAR1 (0.61) SPHK1CHEK1SPHK2S1PR1S1PR3
SCHEMBL829498 0.82 SPHK1 (0.56) SPHK1CHEK1SPHK2S1PR1S1PR3
SCHEMBL6287144 0.82 SPHK1 (0.47) SPHK1CHEK1SPHK2S1PR1S1PR3
SCHEMBL6287037 0.81 SPHK1 (0.43) SPHK1CHEK1SPHK2S1PR1S1PR3
SCHEMBL6290826 0.81 SPHK1 (0.44) SPHK1SPHK2S1PR1S1PR3S1PR4
SCHEMBL6286723 0.80 LTA4H (0.47) SPHK1SPHK2S1PR1S1PR3S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6887890-B2 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-05-03 US disclosed
US-20030162724-A1 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-08-28 US disclosed
EP-1291341-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN-LIKE ACTIVITIES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-12 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 (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-20030162724-A1 Compounds exhibiting thrombopoietin-like activities MPL, THPO, TEK SPHK1 1494/4885CHEK1 4127/4885SPHK2 1341/4885

“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.