SCHEMBL6286578

SCHEMBL6286578

C[C@](NC(=O)Cc1ccsc1)(C(=O)Nc1ccc(C(OC(=O)C(F)(F)F)(c2ccc(NC(=O)[C@](C)(NC(=O)Cc3ccsc3)c3ccccn3)cc2)c2ccc(NC(=O)[C@](C)(NC(=O)Cc3ccsc3)c3ccccn3)cc2)cc1)c1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.36
KMT2A Q03164 2/20 0.36
SIRT5 Q9NXA8 1/20 0.35
ABCC9 O60706 1/20 0.34
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34
KCNJ8 Q15842 1/20 0.34
MEN1 O00255 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL7035727 0.87 NPC1 (0.41) RORCNPC1RAB9ATDP1SMN1; SMN2
SCHEMBL6291085 0.87 RAB9A (0.40) RORCNPC1RAB9ATDP1SMN1; SMN2
SCHEMBL6287905 0.80 ANO1 (0.45) POLBKMT2AMEN1CYP3A4CYP2D6
SCHEMBL6356129 0.80 KLK6 (0.41) RORCRAB9ATDP1SMN1; SMN2L3MBTL1
SCHEMBL6290397 0.76 HDAC1 (0.43) TDP1SMN1; SMN2KMT2AMEN1
SCHEMBL6287370 0.69 ANO1 (0.46) POLBKMT2AMEN1CYP3A4CYP2D6
SCHEMBL6287811 0.68 S1PR1 (0.46)
SCHEMBL13167591 0.66 RAB9A (0.68) RORCNPC1RAB9ATDP1SMN1; SMN2
SCHEMBL6290375 0.65 HRH3 (0.46) L3MBTL1POLBKMT2AMEN1CYP3A4
Trifluoroacetic Acid SCHEMBL7035725 0.64 USP30 (0.43) NPC1RAB9ATDP1SMN1; SMN2L3MBTL1

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 2 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

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 RORC 2431/4885NPC1 3910/4885RAB9A 4327/4885

“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.