SCHEMBL6287811

SCHEMBL6287811

O=C(Cc1ccsc1)N[C@H](Cc1cnc[nH]1)C(=O)Nc1ccc(C(OC(=O)C(F)(F)F)(c2ccc(NC(=O)[C@@H](Cc3cnc[nH]3)NC(=O)Cc3ccsc3)cc2)c2ccc(NC(=O)[C@@H](Cc3cnc[nH]3)NC(=O)Cc3ccsc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.46
CAPN1 P07384 1/20 0.41
F2 P00734 3/20 0.39
PRSS1 P07477 3/20 0.39
PRSS2 P07478 3/20 0.39
PRSS3 P35030 3/20 0.39
LTA4H P09960 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL6291084 0.70 USP30 (0.40) S1PR1
SCHEMBL6291085 0.70 RAB9A (0.40)
Trifluoroacetic Acid SCHEMBL6287803 0.68 RAB9A (0.36) S1PR1CAPN1
SCHEMBL6286578 0.68 RORC (0.39)
SCHEMBL6286285 0.67 LTA4H (0.46) S1PR1LTA4H
SCHEMBL6288024 0.67 LTA4H (0.46) S1PR1LTA4H
Trifluoroacetic Acid SCHEMBL6286576 0.66 USP30 (0.41) CAPN1
Trifluoroacetic Acid SCHEMBL7035725 0.66 USP30 (0.43)
SCHEMBL6286266 0.65 KLKB1 (0.37) S1PR1LTA4H
SCHEMBL6287170 0.65 HDAC8 (0.50) S1PR1

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 S1PR1 1281/4885CAPN1 3685/4885F2 133/4885

“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.