SCHEMBL6287897

SCHEMBL6287897

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 6/20 0.56
CIT O14578 2/20 0.52
SPHK2 Q9NRA0 1/20 0.43
AAK1 Q2M2I8 2/20 0.43
NSD2 O96028 2/20 0.42
PFKFB1 P16118 2/20 0.42
AS3MT Q9HBK9 2/20 0.42
PFKFB2 O60825 1/20 0.42
PFKFB3 Q16875 1/20 0.42
LTA4H P09960 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
BACE1 P56817 1/20 0.40

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
SCHEMBL105378 0.86 SPHK1 (0.57) SPHK1CITAAK1TAAR1CA12
SCHEMBL6291030 0.83 LTA4H (0.45) SPHK1CITSPHK2AAK1LTA4H
SCHEMBL10431761 0.82 SPHK1 (0.56) SPHK1CITCA12CA1CA2
SCHEMBL12997448 0.82 SPHK1 (0.60) SPHK1CITSPHK2LTA4H
SCHEMBL8526953 0.81 SPHK1 (0.55) SPHK1CITLTA4HTAAR1
SCHEMBL2311252 0.81 SPHK1 (0.55) SPHK1CITLTA4HTAAR1
SCHEMBL8526956 0.81 SPHK1 (0.55) SPHK1CITLTA4HTAAR1
SCHEMBL6286723 0.80 LTA4H (0.47) SPHK1SPHK2AAK1LTA4H
Hydrochloric Acid SCHEMBL20569864 0.80 SPHK1 (0.54) SPHK1CITLTA4HTAAR1
SCHEMBL19234512 0.79 SPHK1 (0.69) SPHK1CITSPHK2

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 1494/4885CIT 3573/4885SPHK2 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.