SCHEMBL21218673

SCHEMBL21218673

COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H](C(C)[C@H]3O[C@@H]3c3ccc(CNC(=O)C(C)NC(=O)C(N)C(C)C)cc3)OC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)C(C)NC2=O)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 4/20 0.55
TUBB P07437 4/20 0.55
TUBA3C P0DPH7 4/20 0.55
TUBA1B P68363 4/20 0.55
TUBA4A P68366 4/20 0.55
TUBB4B P68371 4/20 0.55
TUBB3 Q13509 4/20 0.55
TUBB2A Q13885 4/20 0.55
TUBB8 Q3ZCM7 4/20 0.55
TUBA3E Q6PEY2 4/20 0.55
TUBA1A Q71U36 4/20 0.55
TUBA1C Q9BQE3 4/20 0.55
TUBB6 Q9BUF5 4/20 0.55
TUBB2B Q9BVA1 4/20 0.55
TUBB1 Q9H4B7 4/20 0.55
F2 P00734 1/20 0.33

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
SCHEMBL18825001 1.00 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21218671 1.00 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21218661 0.94 TUBB4A (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21218658 0.94 TUBB4A (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL18824846 0.94 TUBB4A (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21218647 0.93 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21218651 0.93 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21218649 0.93 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21218646 0.92 TUBB4A (0.63) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21218648 0.92 TUBB4A (0.63) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210163458-A1 NOVEL CRYPTOPHYCIN COMPOUNDS AND CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI SA (FR) 2021-06-03 US disclosed
EP-3371179-B1 NOVEL CRYPTOPHYCIN COMPOUNDS AND CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI SA (FR) 2019-08-07 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-20210163458-A1 NOVEL CRYPTOPHYCIN COMPOUNDS AND CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE XPOT, HCCS, COIL TUBB4A 273/4885TUBB 235/4885TUBA3C 426/4885

“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.