SCHEMBL14044982

SCHEMBL14044982

COc1cc(C2SC[C@H](C(=O)O)N2C(=O)OC(C)(C)C)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ FFAR2 O15552 7/20 0.45
▸ PDE4B Q07343 2/20 0.38
▸ TUBB4A P04350 1/20 0.38
▸ TUBB P07437 1/20 0.38
▸ TUBA3C P0DPH7 1/20 0.38
▸ TUBA1B P68363 1/20 0.38
▸ TUBA4A P68366 1/20 0.38
▸ TUBB4B P68371 1/20 0.38
▸ TUBB3 Q13509 1/20 0.38
▸ TUBB2A Q13885 1/20 0.38
▸ TUBB8 Q3ZCM7 1/20 0.38
▸ TUBA3E Q6PEY2 1/20 0.38
▸ TUBA1A Q71U36 1/20 0.38
▸ TUBA1C Q9BQE3 1/20 0.38
▸ TUBB6 Q9BUF5 1/20 0.38
▸ TUBB2B Q9BVA1 1/20 0.38
▸ TUBB1 Q9H4B7 1/20 0.38

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
SCHEMBL5713194 0.81 GAA (0.72) POLBGAARAB9AFFAR2HTT
SCHEMBL3072035 0.81 HSD17B10 (0.54) POLBGAARAB9AFFAR2
SCHEMBL6185805 0.81 HSD17B10 (0.54) POLBGAARAB9AFFAR2
SCHEMBL14024616 0.81 HSD17B10 (0.54) POLBGAARAB9AFFAR2
SCHEMBL13091656 0.81 HSD17B10 (0.54) POLBGAARAB9AFFAR2
SCHEMBL10943774 0.77 POLB (0.45) POLBGAARAB9AFFAR2TUBB4A
SCHEMBL11199594 0.76 POLB (0.44) POLBGAARAB9AFFAR2TUBB4A
SCHEMBL8870150 0.76 POLB (0.51) POLBGAARAB9AFFAR2SMN1; SMN2
SCHEMBL8870521 0.76 POLB (0.51) POLBGAARAB9AFFAR2SMN1; SMN2
SCHEMBL8870492 0.74 KDM4E (0.46) POLBGAARAB9AFFAR2

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-20080255213-A1 THIAZOLIDINONE AMIDES, THIAZOLIDINE CARBOXYLIC ACID AMIDES, AND SERINE AMIDES, INCLUDING POLYAMINE CONJUGATES THEREOF, AS SELECTIVE ANTI-CANCER AGENTS UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2008-10-16 — — 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-20080255213-A1 THIAZOLIDINONE AMIDES, THIAZOLIDINE CARBOXYLIC ACID AMIDES, AND SERINE AMIDES, INCLUDING POLYAMINE CONJUGATES THEREOF, AS SELECTIVE ANTI-CANCER AGENTS SRM, SAT1, SMS POLB 4520/4885GAA 2330/4885RAB9A 3087/4885

“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.

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