SCHEMBL19601281

SCHEMBL19601281

COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSC(C)C)[C@@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 4/20 0.84
TUBB P07437 4/20 0.84
TUBA3C P0DPH7 4/20 0.84
TUBA1B P68363 4/20 0.84
TUBA4A P68366 4/20 0.84
TUBB4B P68371 4/20 0.84
TUBB3 Q13509 4/20 0.84
TUBB2A Q13885 4/20 0.84
TUBB8 Q3ZCM7 4/20 0.84
TUBA3E Q6PEY2 4/20 0.84
TUBA1A Q71U36 4/20 0.84
TUBA1C Q9BQE3 4/20 0.84
TUBB6 Q9BUF5 4/20 0.84
TUBB2B Q9BVA1 4/20 0.84
TUBB1 Q9H4B7 4/20 0.84
CYP2D6 P10635 1/20 0.79
TSHR P16473 1/20 0.79
CYP2C19 P33261 1/20 0.79
HIF1A Q16665 1/20 0.79
P4HB P07237 1/20 0.71

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
SCHEMBL12371283 1.00 TUBB4A (0.84) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL18389685 1.00 TUBB4A (0.84) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL26212394 1.00 TUBB4A (0.84) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL836373 1.00 TUBB4A (0.84) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14669823 1.00 TUBB4A (0.84) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL17213337 0.96 TUBB4A (0.86) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL23193005 0.96 TUBB4A (0.82) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL835527 0.96 TUBB4A (0.85) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12371281 0.96 TUBB4A (0.85) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL835433 0.96 TUBB4A (0.85) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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-20170326233-A1 CONJUGATES INCLUDING AN ANTIBODY MOIETY, A POLYPEPTIDE THAT TRAVERSES THE BLOOD-BRAIN BARRIER, AND A CYTOTOXIN ANGIOCHEM INC (CA) 2017-11-16 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-20170326233-A1 CONJUGATES INCLUDING AN ANTIBODY MOIETY, A POLYPEPTIDE THAT TRAVERSES THE BLOOD-BRAIN BARRIER, AND A CYTOTOXIN VIP, KLKB1, SERPINA3 TUBB4A 2900/4885TUBB 2985/4885TUBA3C 1811/4885

“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.